Themed collection Supramolecular & Polymorphism

128 items - Showing page 1 of 2
Highlight

Recent advances in excited state intramolecular proton transfer mechanism-based solid state fluorescent materials and stimuli-responsive fluorescence switching

Substitutional change and controlling intra and intermolecular interactions of ESIPT molecules resulted in realizing multifunctional fluorescence properties.

Graphical abstract: Recent advances in excited state intramolecular proton transfer mechanism-based solid state fluorescent materials and stimuli-responsive fluorescence switching
From the themed collection: 2021 Highlight article collection
Highlight

Spodium bonding in five coordinated Zn(II): a new player in crystal engineering?

This highlight evidences the existence and importance of spodium bonds (SpB) in solid state structures involving five-coordinated square-pyramidal Zn(II) spodium atom.

Graphical abstract: Spodium bonding in five coordinated Zn(ii): a new player in crystal engineering?
From the themed collection: 2021 Highlight article collection
Highlight

Crystal engineering strategies towards halogen-bonded metal–organic multi-component solids: salts, cocrystals and salt cocrystals

This highlight presents an overview of the current advances in the preparation of halogen bonded metal–organic multi-component solids, including salts and cocrystals comprising neutral and ionic constituents.

Graphical abstract: Crystal engineering strategies towards halogen-bonded metal–organic multi-component solids: salts, cocrystals and salt cocrystals
From the themed collection: 2021 Highlight article collection
Open Access Highlight

Recent advances in probing host–guest interactions with solid state nuclear magnetic resonance

A recent update on how solid state NMR has aided the interpretation and understanding of host–guest interactions in the field of supramolecular assemblies is provided.

Graphical abstract: Recent advances in probing host–guest interactions with solid state nuclear magnetic resonance
From the themed collection: 2021 Highlight article collection
Highlight

An overview of CO32−/HCO3 binding by aerial CO2 fixation within the self-assemblies of hydrogen-bond donor scaffolds

A comprehensive account of the F/OH-induced atmospheric CO2 fixation as carbonate/bicarbonate anion(s) within the self-assemblies of artificial receptors are demonstrated in the highlight.

Graphical abstract: An overview of CO32−/HCO3− binding by aerial CO2 fixation within the self-assemblies of hydrogen-bond donor scaffolds
From the themed collection: 2021 Highlight article collection
Communication

Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate

We present a spironolactone–saccharin cocrystal hydrate as the first example of a crystal that jumps without changes in either the lattice parameter or the molecular conformation to highlight the unique advantages of the jumping-mate strategy.

Graphical abstract: Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate
From the themed collection: Supramolecular & Polymorphism
Communication

Curving deformation-induced photoluminescence changes and anisotropy analysis in elastic organic crystals

Mechanical deformation-induced physical property changes of elastically flexible molecular crystals were successfully investigated by spatially resolved μ-photoluminescence (PL) spectroscopy for the PL analysis at both the outer and inner sides.

Graphical abstract: Curving deformation-induced photoluminescence changes and anisotropy analysis in elastic organic crystals
From the themed collection: Supramolecular & Polymorphism
Communication

Intense red emissive organic crystals with elastic bending ability and optical waveguiding behaviour

Orange (Cry-1O) and red (Cry-1R) emissive crystals were obtained based on a green emissive molecule 1. The light transducing capability of Cry-1R in both the straight and bent states can be applied as an active optical waveguiding medium.

Graphical abstract: Intense red emissive organic crystals with elastic bending ability and optical waveguiding behaviour
From the themed collection: Supramolecular & Polymorphism
Communication

Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors

Sandwich, macrocyclic and box supramolecular assemblies were synthesized. They can further self assemble to form a double-layer supramolecular polymer, nanotubes and one-dimensional “iron chain type” supramolecular polymer.

Graphical abstract: Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors
From the themed collection: Supramolecular & Polymorphism
Communication

Trinuclear molybdenum clusters with sulfide bridges as potential anionic receptors via chalcogen bonding

Trinuclear Mo3S7 cluster complexes with sulfide bridges as potential anionic receptors due to chalcogen bonding.

Graphical abstract: Trinuclear molybdenum clusters with sulfide bridges as potential anionic receptors via chalcogen bonding
From the themed collection: Supramolecular & Polymorphism
Communication

Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand

Unusual rotation of the ligand (blue dotted circle) in organometallic crystals is disclosed by X-ray diffraction experiments.

Graphical abstract: Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand
From the themed collection: Supramolecular & Polymorphism
Communication

Incorporation of carboxylated pillar[5]arene and strontium(II) into supramolecular coordination complexes of different nuclearities

The nuclearity of the coordination complexes of carboxylated pillar[5]arene and strontium(II) can be varied with the aid of phenanthroline as a coligand.

Graphical abstract: Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities
From the themed collection: Supramolecular & Polymorphism
Communication

2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium nitrate: intriguing crystal structure with high Z′/Z′′ and hydrogen bond numbers and Hirshfeld surface analysis of intermolecular interactions

The title compound crystallises in the triclinic centrosymmetric space group P[1 with combining macron] with an intriguing high number of crystallographically unique binary salt-like adducts (Z′ = 8) and a total number of ionic species (Z′′ = 16) in the asymmetric unit.

Graphical abstract: 2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium nitrate: intriguing crystal structure with high Z′/Z′′ and hydrogen bond numbers and Hirshfeld surface analysis of intermolecular interactions
From the themed collection: Supramolecular & Polymorphism
Communication

Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study

Here it deliberates the relationships between explicit crystal structures and biopharmaceutical properties of two polymorphs of remdesivir.

Graphical abstract: Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study
From the themed collection: Supramolecular & Polymorphism
Communication

Size-dependent solution-mediated phase transformation of piroxicam monohydrate particles

The transformation from the piroxicam monohydrate to form I or form II could be achieved precisely by adjusting the particle size itself in the 99% acetone-1% H2O solvent at 31 °C.

Graphical abstract: Size-dependent solution-mediated phase transformation of piroxicam monohydrate particles
From the themed collection: Supramolecular & Polymorphism
Communication

Ambient L-lactic acid crystal polymorphism

The second and third crystalline forms of lactic acid are described, yet along with the known structure, they together fail to reproduce any of the supramolecular aggregates that have long been observed in isotropic media.

Graphical abstract: Ambient l-lactic acid crystal polymorphism
From the themed collection: Supramolecular & Polymorphism
Communication

Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning

Reversible and facile single-crystal-to-single-crystal transformation between two polymorphs of diphenhydramine citrate leads to molecular level understanding of crystal phase change.

Graphical abstract: Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning
From the themed collection: Supramolecular & Polymorphism
Open Access Communication

Impact of polymorphism on mechanical properties of molecular crystals: a study of p-amino and p-nitro benzoic acid with nanoindentation

We report on nanoindentation data for two pairs of polymorphic compounds of p-aminobenzoic acid (pABA) and p-nitrobenzoic acid (pNBA) and compare it with existing data in the literature. We also explore on a new parameter, s-PBC, as a tool to estimate hardness.

Graphical abstract: Impact of polymorphism on mechanical properties of molecular crystals: a study of p-amino and p-nitro benzoic acid with nanoindentation
From the themed collection: Supramolecular & Polymorphism
Communication

Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers

Halogen-bonded (XB) supramolecular polymers from two heteroditopic, emissive hydroxyquinoline-based structural isomers displayed distinctly different crystal packing & stimuli-responsive morphologies, due to the varying XB directionality & strength.

Graphical abstract: Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers
From the themed collection: Supramolecular & Polymorphism
Communication

Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles

An adamantane-bearing macrocycle exhibited permanent intrinsic porosity and adsorption of small guests in single-crystal-to-single-crystal fashions. The guest capture resulted in the structural transformations of supramolecular organic frameworks.

Graphical abstract: Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles
From the themed collection: Supramolecular & Polymorphism
Communication

A selective cocrystallization separation method based on non-covalent interactions and its application

A selective cocrystallization technology based on non-covalent interactions between the target compound and cocrystal conformers was developed to effectively separate isomer mixtures.

Graphical abstract: A selective cocrystallization separation method based on non-covalent interactions and its application
From the themed collection: Supramolecular & Polymorphism
Communication

Photoreactive salt cocrystal: N+–H⋯N hydrogen bond and cation–π interactions support a cascade-like photodimerization of a 4-stilbazole

Hydrogen bonds (i.e., N+–H⋯N) in combination with cation⋯π interactions enable a cascade-like [2 + 2] photodimerization of 4-stilbazole in a salt cocrystal.

Graphical abstract: Photoreactive salt cocrystal: N+–H⋯N hydrogen bond and cation–π interactions support a cascade-like photodimerization of a 4-stilbazole
From the themed collection: Supramolecular & Polymorphism
Communication

Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions

Here, we present the first example of sp3 hybridized carbon centered (Csp3) tetrel bonding mediated 3D BODIPY assembly via the exceptional synergy of Csp3⋯N and Csp3⋯F pair interactions.

Graphical abstract: Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions
From the themed collection: Supramolecular & Polymorphism
Paper

Halogen bonds as a tool in the design of high energetic materials: evidence from crystal structures and quantum chemical calculations

Combined crystallographic and quantum chemical study was performed to reveal the influence of halogen bonding on the sensitivity towards detonation of high-energy molecules.

Graphical abstract: Halogen bonds as a tool in the design of high energetic materials: evidence from crystal structures and quantum chemical calculations
From the themed collection: Supramolecular & Polymorphism
Paper

5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence

Synthons guided the types of N–H⋯π interactions and stacking to cause quenching of emissions.

Graphical abstract: 5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence
From the themed collection: Supramolecular & Polymorphism
Open Access Paper

Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts

An unusual crossed dimer motif is present in the solid state in the infinite TCNQ˙ columns of the bis-12-crown-4 complexes of Li and NaTCNQ.

Graphical abstract: Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts
From the themed collection: Supramolecular & Polymorphism
Paper

Symmetrical and unsymmetrical thiazole-based ESIPT derivatives: the highly selective fluorescence sensing of Cu2+ and structure-controlled reversible mechanofluorochromism

Excited state intramolecular proton transfer (ESIPT) process-based organic fluorophores provide an opportunity to develop large Stokes-shifted multifunctional fluorescence systems for light emitting, chemosensing and bioimaging applications.

Graphical abstract: Symmetrical and unsymmetrical thiazole-based ESIPT derivatives: the highly selective fluorescence sensing of Cu2+ and structure-controlled reversible mechanofluorochromism
From the themed collection: Supramolecular & Polymorphism
Paper

Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy

Based on the design concept of supramolecular synthons, “–NH2⋯Npyridine” was used to prepare cocrystals of DAP: (1 : 1) and (2 : 1) DAP-PYR, which could be transformed into each other by mechanochemistry.

Graphical abstract: Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy
From the themed collection: Supramolecular & Polymorphism
Paper

Theoretical insights on the encapsulated hydronium ion mediated supramolecular assembly of nickel(II) Schiff base complexes: strong hydrogen bonding interaction due to charge transfer from the lone pair of oxygen to the antibonding orbital of the O–H bond

Strong hydrogen bonding interactions are observed in a hydronium ion trapped nickel(II) Schiff base complex. The energetics regarding these interactions which provide the stability to the supramolecular structure are analysed by DFT calculations.

Graphical abstract: Theoretical insights on the encapsulated hydronium ion mediated supramolecular assembly of nickel(ii) Schiff base complexes: strong hydrogen bonding interaction due to charge transfer from the lone pair of oxygen to the antibonding orbital of the O–H bond
From the themed collection: Supramolecular & Polymorphism
Paper

Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature

Disordering of ET in dual-layered organic metal with incoherent interlayer electron transport (ET)4ZnBr4(C6H4Cl2) begins already in the LT-phase when approaching Tp.

Graphical abstract: Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature
From the themed collection: Supramolecular & Polymorphism
Paper

Cyclodextrin complexes of the anticonvulsant agent valproic acid

Valproic acid (VAL) forms complexes with natural and derivatised cyclodextrins (CDs). Stoichiometries were deduced from NMR spectra, thermal and X-ray diffraction analyses, the latter revealing modes of VAL inclusion in CDs for the first time.

Graphical abstract: Cyclodextrin complexes of the anticonvulsant agent valproic acid
Open Access Paper

Cubic, hexagonal and tetragonal FeGex phases (x = 1, 1.5, 2): Raman spectroscopy and magnetic properties

Structural properties of various FeGex compounds are explored by Raman spectroscopy in order to provide reference Raman spectra, and enable fast and local phase determination in FeGe thin films.

Graphical abstract: Cubic, hexagonal and tetragonal FeGex phases (x = 1, 1.5, 2): Raman spectroscopy and magnetic properties
From the themed collection: Supramolecular & Polymorphism
Open Access Paper

Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(II) bis(1,2-dioximato) complex

Butyl substituents enhance solution processing, but undermine the short Pt⋯Pt contacts that enable metallisation under pressure.

Graphical abstract: Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex
From the themed collection: Supramolecular & Polymorphism
Paper

Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding

In this study, the efficiency of halogen bonding strategies to control over the supramolecular assemblies of boron dipyrromethene (BODIPY) (B-1, B-2, and B-3) derivatives was explored.

Graphical abstract: Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding
From the themed collection: Supramolecular & Polymorphism
Paper

Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors

Due to the introduction of a strong electron donor, CoIII(CN)63−, into the structure, the rare-earth donor–acceptor (D–A) hybrid crystal shows enhanced photochromism. The coordinative Eu3+ cation is also beneficial toward improving the luminescence.

Graphical abstract: Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors
From the themed collection: Supramolecular & Polymorphism
Paper

Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures

The tendency of the pyrazine nitrogen atom to form hydrogen bond supramolecular synthons affects the coordination geometry of new d10-metal halide complexes which have been prepared by solution-based methods in comparison with solid-state reactions.

Graphical abstract: Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures
From the themed collection: Supramolecular & Polymorphism
Paper

Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes

The combination of α-acetamidocinnamic acid (HACA) and different N, N,N and N,N,N pyridines (dPy) leads to crowded Zn(II) metal centers. The increasing bulkiness competes with the chelation enhanced effect (CHEF) in the resulting quantum yields.

Graphical abstract: Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes
From the themed collection: Supramolecular & Polymorphism
Paper

One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes

29 structures of 1,4-dibromo- and 1,4-diiodotetrafluorobenzene, as well as 4,4′-dibromo- and 4,4′-diiodooctafluorobiphenyl with bifunctional amines were synthesized, exposing correlations of halogen bond length with both electrostatic potential and percent buried volume.

Graphical abstract: One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes
From the themed collection: Supramolecular & Polymorphism
Paper

Elastic anisotropy of mechanically responsive molecular solids

Unique mechanical properties in molecular solids arise from a specific combination of structure and interaction anisotropy. Powder Brillouin light scattering offers new insight into the latter contribution to test current models for mechanical design.

Graphical abstract: Elastic anisotropy of mechanically responsive molecular solids
From the themed collection: Supramolecular & Polymorphism
Open Access Paper

A high contrast mechanochromic luminescent diacetylene-linked bis-benzothiadiazole derivative

A rod-shaped self-assembling diacetylene-linked bis-benzothiadiazole derivative presents a high contrast luminescence phase transformation upon shearing which is reversed upon heating.

Graphical abstract: A high contrast mechanochromic luminescent diacetylene-linked bis-benzothiadiazole derivative
From the themed collection: Supramolecular & Polymorphism
Paper

Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether

A pseudorotaxane with different or mixed counter anions undergoes thermal phase transition, which is related to the interaction between the counter anion and macrocyclic component.

Graphical abstract: Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether
From the themed collection: Supramolecular & Polymorphism
Paper

Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching

Pure organic multi-color luminescent materials were finely tuned from blue through green to red using a supramolecular complex strategy, exhibiting force- and solvent-sensitive luminescence switching in the stimuli-responsive field.

Graphical abstract: Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching
From the themed collection: Supramolecular & Polymorphism
Open Access Paper

Multi-color mechanochromic luminescence of three polymorphic crystals of a donor–acceptor-type benzothiadiazole derivative

The three polymorphic crystals of a donor–acceptor dye exhibited different luminescence colors, which changed in response to mechanical grinding.

Graphical abstract: Multi-color mechanochromic luminescence of three polymorphic crystals of a donor–acceptor-type benzothiadiazole derivative
From the themed collection: Supramolecular & Polymorphism
Paper

Elastic deformability and luminescence of crystals of polyhalogenated platinum(II)–bipyridine complexes

A series of polyhalogenated platinum(II)–bipyridine complexes showed solvent-of-crystallisation-dependent elastic flexibility and luminescence.

Graphical abstract: Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)–bipyridine complexes
From the themed collection: Supramolecular & Polymorphism
Paper

The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals

Mechanofluorochromic crystals based on tetraphenylethylene and boronates reversibly change their emission upon grinding, setting the path to develop bistable switches in the future.

Graphical abstract: The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals
From the themed collection: Supramolecular & Polymorphism
Paper

Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects

A diketopyrrolopyrrole dye was found to exhibit a three-step polymorphic transition by heating with thermosalient effects.

Graphical abstract: Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects
From the themed collection: Supramolecular & Polymorphism
Paper

Mechano-induced photoluminescence colour change in an alkyltolane-terminated cyanostilbene

A novel alkyltolane-terminated cyanostilbene is synthesized. The photoluminescence colour changed depending on the precipitation method, with either a red shift or blue shift in the photoluminescence spectra observed upon mechanical grinding.

Graphical abstract: Mechano-induced photoluminescence colour change in an alkyltolane-terminated cyanostilbene
From the themed collection: Supramolecular & Polymorphism
Paper

A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin

A unique mechanical property of superelasticity is observed not only in so-called shape-memory alloys but also in molecular crystals.

Graphical abstract: A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin
From the themed collection: Supramolecular & Polymorphism
Open Access Paper

A bug in enantiomer separation: double salt formation – diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate

The number of crystal structures of diastereomeric salt pairs and especially of double salts is limited in the literature.

Graphical abstract: A bug in enantiomer separation: double salt formation – diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate
From the themed collection: Supramolecular & Polymorphism
Paper

Investigating the structure–fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning

A series of stimuli-responsive AIEgens of tetraphenylethylene (TPE) fused imidazole derivatives (1–7) were synthesized, and their substituent controlled fluorescence properties in the solid state were explored.

Graphical abstract: Investigating the structure–fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning
From the themed collection: Supramolecular & Polymorphism
Paper

Hierarchy of π-stacking determines the conformational preferences of bis-squaramates

Orientation of squaramate dimers in crystal structures is tuned by varying the degree of cooperativity between hydrogen bonding and π-stacking.

Graphical abstract: Hierarchy of π-stacking determines the conformational preferences of bis-squaramates
From the themed collection: Supramolecular & Polymorphism
Paper

Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units

A methylene- and adamantane-bridged macrocycle with biphenyl units showed selective co-inclusion of n-hexane among the hexane isomers through crystallization. In the use of n-pentane or n-heptane, inclusion crystals with alkanes were not formed.

Graphical abstract: Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units
From the themed collection: Supramolecular & Polymorphism
Paper

Direct Bi3+–Bi3+ contacts mediated by lone pairs in the HP-BiNiO(PO4) polymorph

HP polytype of BiNiO(PO4) (600 °C, 5 GPa) shows the same structural units as the AP one but in a denser form. Bi–Bi contacts intra/inter units are surprisingly identical due to lone pair electron interaction via sharp σ* bonding at the Fermi level.

Graphical abstract: Direct Bi3+–Bi3+ contacts mediated by lone pairs in the HP-BiNiO(PO4) polymorph
From the themed collection: Supramolecular & Polymorphism
Paper

A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper(II) complex

The formation of two chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and the O atoms of carboxylate groups as acceptors in a dimeric copper(II) complex has been described.

Graphical abstract: A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper(ii) complex
From the themed collection: Supramolecular & Polymorphism
Paper

3D supramolecular chiral crystal structures of radical anion salts of (−)-NDI-Δ and possible magnetic phase diagrams

Supramolecular chiral crystals of radical anion salts of a triangular chiral electron acceptor, (−)-naphthalene diimide (NDI)-Δ, were electrochemically grown in propylene carbonate electrolyte solutions in the presence of cyclic multidentate ligands.

Graphical abstract: 3D supramolecular chiral crystal structures of radical anion salts of (−)-NDI-Δ and possible magnetic phase diagrams
From the themed collection: Supramolecular & Polymorphism
Paper

Mechanochemical treatment of quercetin and curcumin to obtain eutectic mixtures with high antioxidant activity

The present work is an interesting study addressed to creation of eutectic mixtures from quercetin and curcumin molecules through mechanochemical treatment. The obtained product increase and enhance the antioxidant activity.

Graphical abstract: Mechanochemical treatment of quercetin and curcumin to obtain eutectic mixtures with high antioxidant activity
From the themed collection: Supramolecular & Polymorphism
Paper

Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate

Comparison of crystal structures, dynamic vapor adsorption measurements, lattice energy calculations and structural optimization of the dehydration model were used to evaluate the hydration-dehydration behavior.

Graphical abstract: Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate
From the themed collection: Supramolecular & Polymorphism
Paper

Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure

Fluorine in the ortho-position of diaminobenzonitrile promotes the formation of the N–H⋯NC bond which results in a 3D supramolecular structure of the co-crystal.

Graphical abstract: Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure
From the themed collection: Supramolecular & Polymorphism
Paper

Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests

Each p-Xy guest molecule is surrounded by six dicarboxylic acid host molecules, forming a continuous intermolecular hydrogen-bonded motif through their carboxylic acid functionalities to form a cage-like structure in which the guests are trapped.

Graphical abstract: Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests
Open Access Paper

Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints

Control of the spacing between a dimethylamino group and a polarised alkene by remote constraints determines if the groups make a n–π* interaction, form a Me2N–C bond or a (MeN)CH2–C bond initiated by the tertiary amino effect.

Graphical abstract: Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints
From the themed collection: Supramolecular & Polymorphism
Paper

Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction

Mechanochemical and solution reaction of ZnCl2 with proflavine yields the antimicrobials [HPF]2[ZnCl4]·H2O and ZnCl3(HPF), more active, with respect to the separate components and the AgNO3 standard, towards P. aeruginosa, E. coli and S. aureus.

Graphical abstract: Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction
From the themed collection: Supramolecular & Polymorphism
Paper

Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(II) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies

Solvent-induced structural transformations on the metal coordination sphere in homoleptic (1 and 2) and heteroleptic (3 and 4) Cu(II) complexes were analyzed and investigated by crystallographic and quantum computational studies.

Graphical abstract: Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies
From the themed collection: Supramolecular & Polymorphism
Open Access Paper

Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes

A series of halogen-bonded (XB) 1D and zigzag supramolecular architectures involving a sterically hindered class of homologous para-xylenes bearing bipyridyl moieties at peripheries co-crystallized with mono-, di-, and triiodofluorobenzenes as XB donors are prepared.

Graphical abstract: Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes
From the themed collection: Supramolecular & Polymorphism
Paper

A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties

A new binary charge transfer cocrystal system was successfully fabricated by virtue of donor–acceptor interaction and exhibited enhanced emission and sensitive mechanoresponsive luminescence properties.

Graphical abstract: A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties
From the themed collection: Supramolecular & Polymorphism
Paper

Desolvation of dasatinib methanolate: an improved anhydrous polymorph

A case study portraying how a labile tri-methanol solvate of dasatinib leads to polymorph transformation and particle size reduction.

Graphical abstract: Desolvation of dasatinib methanolate: an improved anhydrous polymorph
From the themed collection: Supramolecular & Polymorphism
Paper

Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(III) complexes

The impact of the halogen substituent on supramolecular preferences that influence packing is explored in a series of heteroleptic iron(III) complexes.

Graphical abstract: Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes
From the themed collection: Supramolecular & Polymorphism
Paper

Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism

Methanol and methyl acetate molecules played different roles in the formation of SM–M amoxicillin sodium heterosolvate. A two-step desolvation mechanism of novel heterosolvates was proposed.

Graphical abstract: Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism
From the themed collection: Supramolecular & Polymorphism
Paper

Ferroelectricity and switching polarization on the C–H⋯π bond in a pure organic molecular crystal – 1,3,5-trimethylnitrobenzene

The ferroelectric pure molecular crystal with spontaneous polarization related to flexibility of the C–H⋯π hydrogen bonds (molecular joints).

Graphical abstract: Ferroelectricity and switching polarization on the C–H⋯π bond in a pure organic molecular crystal – 1,3,5-trimethylnitrobenzene
From the themed collection: Supramolecular & Polymorphism
Paper

Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies

The anticancer drug erlotinib revealed two polymorphs and two hydrates. The metastable polymorph and hydrates converted to the stable polymorph, which displayed solution-mediated transformation into the monohydrate at the lowest water activity.

Graphical abstract: Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies
From the themed collection: Supramolecular & Polymorphism
Paper

2D cocrystal engineering: switching the robust carboxylic acid–pyridine supramolecular heterosynthon via an oriented external electric field

The response of 2D cocrystals with the carboxylic acid–pyridine supramolecular heterosynthon to the oriented external electric field is identified on solid surfaces.

Graphical abstract: 2D cocrystal engineering: switching the robust carboxylic acid–pyridine supramolecular heterosynthon via an oriented external electric field
From the themed collection: Supramolecular & Polymorphism
128 items - Showing page 1 of 2

About this collection

The latest research on Supramolecular & Polymorphism published in CrystEngComm.

Spotlight

Advertisements