Themed collection Supramolecular & Polymorphism

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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

Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal

The formation of three isostructural co-crystals that utilize iodoperchlorobenzene as a dual halogen-bond donor is reported.

Graphical abstract: Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal
From the themed collection: Supramolecular & Polymorphism
Communication

Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors

A series of new halogenated bis(acenaphthylene)dione (BAN) derivatives was synthesized, and the effect of halogen bonding on both molecular and crystal structure, and charge transport in n-type thin film transistors was investigated.

Graphical abstract: Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors
From the themed collection: Supramolecular & Polymorphism
Communication

Simple and effective purification of a SGLT-2 inhibitor cocrystal Rongliflozin L-pyroglutamic acid: coformer-induced purification

We report and design a simple and robust process to obtain a single and pure crystalline form I (1) of the cocrystal, containing Rongliflozin (2) with L-pyroglutamic acid (L-PA), based on coformer-induced purification (CoIP).

Graphical abstract: Simple and effective purification of a SGLT-2 inhibitor cocrystal Rongliflozin l-pyroglutamic acid: coformer-induced purification
From the themed collection: Supramolecular & Polymorphism
Communication

Polymorph control of 5-fluorouracil during a ball milling process

Polymorph control of 5-fluorouracil was achieved by ball milling. Forms II and III were prepared separately through ball milling with different amounts of ethanol as an additive at the same period without influencing each other.

Graphical abstract: Polymorph control of 5-fluorouracil during a ball milling process
From the themed collection: Supramolecular & Polymorphism
Communication

Flexible thiourea linked covalent organic frameworks

Exploring covalent organic frameworks with new linkages is regarded as an efficient method to modulate the corresponding properties, and a new linkage is essential to the progress of this field.

Graphical abstract: Flexible thiourea linked covalent organic frameworks
From the themed collection: Supramolecular & Polymorphism
Communication

Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin

Tetracenequninone fused porphyrin exhibits remarkable π,π-stacking, which can be regulated by solvents to afford various biomorphs or cubic-shaped architectures.

Graphical abstract: Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin
From the themed collection: Supramolecular & Polymorphism
Communication

Mass spectrometry guided surface modification of a tellurate ion templated 36-nucleus silver alkynyl nanocluster

Under the guidance of the ESI-MS result for [TeO6@Ag36(C[triple bond, length as m-dash]CtBu)18(tfa)12] (1, tfa = trifluoroacetate), a new 36-nucleus silver-alkynyl cluster substituted by four pentafluorobenzoates, named as [TeO6@Ag36(C[triple bond, length as m-dash]CtBu)18(tfa)8(F5PhCO2)4] (2), has been fabricated.

Graphical abstract: Mass spectrometry guided surface modification of a tellurate ion templated 36-nucleus silver alkynyl nanocluster
From the themed collection: Supramolecular & Polymorphism
Communication

Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges

An adamantane-based macrocycle afforded three inclusion crystals with diverse 1D channels. Single-crystal to single-crystal guest exchanges occurred for two crystals, where their frameworks displayed distinctive structural transformations.

Graphical abstract: Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges
From the themed collection: Supramolecular & Polymorphism
Communication

Switchable phase transition between crystalline and amorphous states of CuSO4·5H2O by dynamic shock waves

In this communication, we report the switchable phase transition occurring between the crystalline and amorphous states of CuSO4·5H2O, influenced by dynamic shock waves, and the results have been evaluated by XRD and Raman techniques.

Graphical abstract: Switchable phase transition between crystalline and amorphous states of CuSO4·5H2O by dynamic shock waves
From the themed collection: Supramolecular & Polymorphism
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
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
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
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

Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition

(Bu4N)2[β-{Ag(N2-py)}2Mo8O26] demonstrates monomer/polymer dualism and a colouration phenomenon. The polymeric phase reveals a Ag assisted phase transition. Such complexes can act as precursors for catalytically active materials.

Graphical abstract: Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition
From the themed collection: Supramolecular & Polymorphism
Paper

Hexahalorhenate(IV) salts of protonated ciprofloxacin: antibiotic-based single-ion magnets

In the crystal lattice of two novel ReIV compounds, the paramagnetic [ReCl6]2− and [ReBr6]2− anions are well separated from each other through two protonated forms of the antibiotic ciprofloxacin. These compounds behave as single-ion magnets (SIMs).

Graphical abstract: Hexahalorhenate(iv) salts of protonated ciprofloxacin: antibiotic-based single-ion magnets
From the themed collection: Supramolecular & Polymorphism
Paper

Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties

Novel supramolecular assemblies built from Keggin-type polyoxometalate and [18]-crown-6 ether building blocks exhibit unique propeller-like supramolecular host–guest structures.

Graphical abstract: Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties
From the themed collection: Supramolecular & Polymorphism
Open Access Paper

Laser-induced nucleation promotes crystal growth of anhydrous sodium bromide

It is demonstrated that laser-induced nucleation enables preferential crystallization of metastable anhydrous solids from solution.

Graphical abstract: Laser-induced nucleation promotes crystal growth of anhydrous sodium bromide
From the themed collection: Supramolecular & Polymorphism
Paper

Features of the conformation of galunisertib molecules in the crystal structures of its solvates

A comparison of galunisertib in crystal structures of pure polymorphs and solvates enables studying the effects of solvate molecules on galunisertib conformations and highlights the features of realized noncovalent interactions.

Graphical abstract: Features of the conformation of galunisertib molecules in the crystal structures of its solvates
From the themed collection: Supramolecular & Polymorphism
Paper

The distinct binding modes of pesticides affect the phase transitions of lysozyme

Studying the aggregation and nucleation of proteins in the presence of organic molecules is helpful for disclosing the mechanisms of protein crystallization.

Graphical abstract: The distinct binding modes of pesticides affect the phase transitions of lysozyme
From the themed collection: Supramolecular & Polymorphism
Paper

Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions

Two pairs of HOFs were prepared with H4TCPE ligand under different conditions, and 3 and 4 have high stability and exhibit fluorescence quenching and enhancement toward Fe3+ and Al3+ ions, respectively.

Graphical abstract: Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions
From the themed collection: Supramolecular & Polymorphism
Paper

Amino acid hydrogen oxalate quasiracemates – hydrocarbon side chains

Amino acid hydrogen oxalate quasiracemates form robust crystal structure motifs that are assessed for conformational similarity and degree of inversion symmetry.

Graphical abstract: Amino acid hydrogen oxalate quasiracemates – hydrocarbon side chains
From the themed collection: Supramolecular & Polymorphism
Paper

Amino acid hydrogen oxalate quasiracemates – sulfur containing side chains

A new family of quasiracemic materials constructed from sulfur-containing amino acid hydrogen oxalates form supramolecular assemblies that divert significantly from near centrosymmetric alignment.

Graphical abstract: Amino acid hydrogen oxalate quasiracemates – sulfur containing side chains
From the themed collection: Supramolecular & Polymorphism
Paper

Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer

Six novel co-crystals of tetrabromoquinone with iodide salts of organic cations displaying short contacts between iodide anions and the quinoid rings have been structurally characterised.

Graphical abstract: Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer
From the themed collection: Supramolecular & Polymorphism
Paper

Synthesis, structure and Hirshfeld surface analysis of a series of novel low melting salts without alkyl groups

A series of 1-aminopyridinium base derivative ionic liquids without alkyl groups were synthesized. Hirshfeld surface analysis was used to understand the intricacies of interactions.

Graphical abstract: Synthesis, structure and Hirshfeld surface analysis of a series of novel low melting salts without alkyl groups
From the themed collection: Supramolecular & Polymorphism
Paper

Structure–mechanical property relationship of a pentapeptide crystal

A peptide having miniature (P)310/α-helix conformation, forms intermolecular H-bonded supramolecular helical bundle structure which further self-assembled to interdigited supramolecular sheet-like structure that eventually from the brittle crystal.

Graphical abstract: Structure–mechanical property relationship of a pentapeptide crystal
From the themed collection: Supramolecular & Polymorphism
Paper

Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl/Br) recognition: effects on anion coordination, photoluminescence, and morphological tunability

Two bis-urea receptors bearing aromatic meta-substituted electron-withdrawing groups demonstrated  halide-coordination-triggered self-assemblies with contrasting coordination numbers and variation in morphology.

Graphical abstract: Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability
From the themed collection: Supramolecular & Polymorphism
Paper

Creating supramolecular semiregular Archimedean tilings via gas-mediated deprotonation of a terminal alkyne derivative

Combining surface-confined reactions with supramolecular self-assembly allows the chemical transformation of simple molecular precursors into higher-level tectons to generate complex tessellations with unique structural and functional properties.

Graphical abstract: Creating supramolecular semiregular Archimedean tilings via gas-mediated deprotonation of a terminal alkyne derivative
From the themed collection: Supramolecular & Polymorphism
Paper

Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature

A 1D rotor-like organic perovskite, {[Na(15-crown-5)]PbBr3}n, features a high-κ nature and experiences a reversible isostructural phase transition near room temperature.

Graphical abstract: Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature
From the themed collection: Supramolecular & Polymorphism
Paper

Isothermal decomposition of HMX before and after thermally induced β–δ crystal transformation

The β–δ crystal transformation of HMX is examined using a self-made constant temperature decomposition gas measuring device, and the isothermal decomposition kinetic parameters of HMX with different crystal phases are obtained.

Graphical abstract: Isothermal decomposition of HMX before and after thermally induced β–δ crystal transformation
From the themed collection: Supramolecular & Polymorphism
Paper

A square-shaped complex with an electron-acceptor ligand: unique cubic crystal symmetry and similarity to the inorganic mineral katoite

We successfully obtained a Pt square complex having an electron-accepting ligand, which shows a strong similarity to the high-pressure phase of the natural mineral katoite in the solid state.

Graphical abstract: A square-shaped complex with an electron-acceptor ligand: unique cubic crystal symmetry and similarity to the inorganic mineral katoite
From the themed collection: Supramolecular & Polymorphism
Paper

Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization

Five new multicomponent solid forms of 2,4-D were successfully synthesized. The equilibrium solubility measurement confirmed the improvements in water solubility of new multicomponent crystals.

Graphical abstract: Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization
From the themed collection: Supramolecular & Polymorphism
Open Access Paper

Solvatomorph and polymorph screening of clopamide drug and its copper(II) complex crystals

The anhydrate and hemihydrate structures of the marketed drug, clopamide, are described the first time. Structural landscape of its copper complexes is presented: three polymorphic modifications and an isostructural series of its alcohol clathrates.

Graphical abstract: Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals
From the themed collection: Supramolecular & Polymorphism
Paper

Exploration of semiconducting properties of Zn(II)- and Cd(II)-based coordination polymers with dicarboxylate of a chair-type backbone

This study highlights the comparison of electrical properties and device applications of d10 metal ion based coordination polymers.

Graphical abstract: Exploration of semiconducting properties of Zn(ii)- and Cd(ii)-based coordination polymers with dicarboxylate of a chair-type backbone
From the themed collection: Supramolecular & Polymorphism
Paper

Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of the through-space α-effect

This manuscript reports the synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes focusing on the importance of α-effect hydrogen bonds.

Graphical abstract: Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of the through-space α-effect
From the themed collection: Supramolecular & Polymorphism
Open Access Paper

Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures

α,α-Diphenyl-9,10-dihydro-9,10-ethanoanthracene-11-methanol possessed an enhanced selectivity for o-Xy when recrystallized from various xylene and EB mixed solvents (84.5–93.7%).

Graphical abstract: Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures
From the themed collection: Supramolecular & Polymorphism
Paper

Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals

The nature and role of non-covalent interactions involving fluorous molecules and aromatic molecules are studied by a combined theoretical/crystallographic approach.

Graphical abstract: Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals
From the themed collection: Supramolecular & Polymorphism
Paper

Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations

New structural description of Fe2WO6 powder with incommensurate modulations providing valuable microstructural information and impacting on cation ordering.

Graphical abstract: Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations
From the themed collection: Supramolecular & Polymorphism
Paper

Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework

The nanoconfinement of the three liquid guests within a MOF has been fully investigated in terms of host–guest interactions and framework rearrangement.

Graphical abstract: Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework
From the themed collection: Supramolecular & Polymorphism
Paper

Exploring the diversity of elastic responses of crystalline cadmium(II) coordination polymers: from elastic towards plastic and brittle responses

Noticeable differences in mechanically induced elastic responses were observed for isostructural crystalline coordination polymers, and their mechanical properties were examined through a highly integrated approach, using both theory and experiment.

Graphical abstract: Exploring the diversity of elastic responses of crystalline cadmium(ii) coordination polymers: from elastic towards plastic and brittle responses
From the themed collection: Supramolecular & Polymorphism
Paper

Selective crystallization of four bis(phthalocyaninato)lanthanoid(III) polymorphs

Four polymorphs of the bis-phthalocyanine lanthanoid(III) double-decker complexes are crystallized by solution evaporation methods, and their structures determined by single-crystal X-ray crystallography.

Graphical abstract: Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs
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
From the themed collection: Supramolecular & Polymorphism
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
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The latest research on Supramolecular & Polymorphism published in CrystEngComm.

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