Themed collection Supramolecular & Polymorphism
![](https://www.rsc-cdn.org/pubs-core/2022.0.147/content/NewImages/Ajax-GA-Loader.gif)
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.
CrystEngComm, 2021,23, 3771-3789
https://doi.org/10.1039/D1CE00317H
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.
CrystEngComm, 2021,23, 3084-3093
https://doi.org/10.1039/D1CE00221J
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.
CrystEngComm, 2021,23, 3063-3083
https://doi.org/10.1039/D1CE00158B
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.147/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2021,23, 2491-2503
https://doi.org/10.1039/D1CE00168J
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.
CrystEngComm, 2021,23, 512-527
https://doi.org/10.1039/D0CE01311K
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.
CrystEngComm, 2021,23, 8265-8268
https://doi.org/10.1039/D1CE01194D
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.
CrystEngComm, 2021,23, 8255-8259
https://doi.org/10.1039/D1CE01047F
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).
CrystEngComm, 2021,23, 8033-8037
https://doi.org/10.1039/D1CE01305J
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.
CrystEngComm, 2021,23, 8027-8032
https://doi.org/10.1039/D1CE01211H
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.
CrystEngComm, 2021,23, 7576-7580
https://doi.org/10.1039/D1CE01113H
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.
CrystEngComm, 2021,23, 7565-7569
https://doi.org/10.1039/D1CE01173A
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(CCtBu)18(tfa)12] (1, tfa = trifluoroacetate), a new 36-nucleus silver-alkynyl cluster substituted by four pentafluorobenzoates, named as [TeO6@Ag36(C
CtBu)18(tfa)8(F5PhCO2)4] (2), has been fabricated.
CrystEngComm, 2021,23, 7202-7205
https://doi.org/10.1039/D1CE01061A
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.
CrystEngComm, 2021,23, 7039-7043
https://doi.org/10.1039/D1CE01003D
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.
CrystEngComm, 2021,23, 7044-7048
https://doi.org/10.1039/D1CE01118A
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.
CrystEngComm, 2021,23, 6838-6842
https://doi.org/10.1039/D1CE00830G
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.
CrystEngComm, 2021,23, 5763-5767
https://doi.org/10.1039/D1CE00400J
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.
CrystEngComm, 2021,23, 5758-5762
https://doi.org/10.1039/D1CE00192B
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.
CrystEngComm, 2021,23, 4901-4904
https://doi.org/10.1039/D1CE00644D
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.
CrystEngComm, 2021,23, 4607-4614
https://doi.org/10.1039/D1CE00514F
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.
CrystEngComm, 2021,23, 3790-3793
https://doi.org/10.1039/D1CE00093D
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.
CrystEngComm, 2021,23, 3265-3269
https://doi.org/10.1039/D1CE00334H
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 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.
CrystEngComm, 2021,23, 3099-3108
https://doi.org/10.1039/D1CE00313E
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.
CrystEngComm, 2021,23, 2923-2927
https://doi.org/10.1039/D1CE00175B
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.
CrystEngComm, 2021,23, 2928-2932
https://doi.org/10.1039/D1CE00237F
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.
CrystEngComm, 2021,23, 2644-2647
https://doi.org/10.1039/D1CE00285F
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.
CrystEngComm, 2021,23, 2648-2653
https://doi.org/10.1039/D1CE00055A
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.147/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2021,23, 2027-2033
https://doi.org/10.1039/D1CE00041A
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.
CrystEngComm, 2021,23, 1695-1699
https://doi.org/10.1039/D1CE00101A
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.
CrystEngComm, 2021,23, 1539-1543
https://doi.org/10.1039/D0CE01782E
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.
CrystEngComm, 2021,23, 1550-1554
https://doi.org/10.1039/D0CE01799J
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.
CrystEngComm, 2021,23, 1071-1074
https://doi.org/10.1039/D0CE01885F
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.
CrystEngComm, 2021,23, 268-272
https://doi.org/10.1039/D0CE01640C
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.
CrystEngComm, 2021,23, 8527-8537
https://doi.org/10.1039/D1CE01152A
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).
CrystEngComm, 2021,23, 8579-8587
https://doi.org/10.1039/D1CE01337H
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.
CrystEngComm, 2021,23, 8482-8489
https://doi.org/10.1039/D1CE01203G
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.147/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2021,23, 8451-8461
https://doi.org/10.1039/D1CE01180D
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.
CrystEngComm, 2021,23, 8269-8275
https://doi.org/10.1039/D1CE01300A
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.
CrystEngComm, 2021,23, 8430-8442
https://doi.org/10.1039/D1CE00108F
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.
CrystEngComm, 2021,23, 8334-8342
https://doi.org/10.1039/D1CE01182K
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.
CrystEngComm, 2021,23, 8053-8060
https://doi.org/10.1039/D1CE01213D
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.
CrystEngComm, 2021,23, 8061-8070
https://doi.org/10.1039/D1CE01214B
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.
CrystEngComm, 2021,23, 8209-8214
https://doi.org/10.1039/D1CE01156A
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.
CrystEngComm, 2021,23, 8150-8158
https://doi.org/10.1039/D1CE00933H
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.
CrystEngComm, 2021,23, 8093-8098
https://doi.org/10.1039/D1CE00738F
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.
CrystEngComm, 2021,23, 7771-7780
https://doi.org/10.1039/D1CE01090E
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.
CrystEngComm, 2021,23, 7822-7830
https://doi.org/10.1039/D1CE01413G
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.
CrystEngComm, 2021,23, 7787-7793
https://doi.org/10.1039/D1CE01273H
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.
CrystEngComm, 2021,23, 7698-7705
https://doi.org/10.1039/D1CE00998B
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.
CrystEngComm, 2021,23, 7691-7697
https://doi.org/10.1039/D1CE00994J
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.
CrystEngComm, 2021,23, 7615-7627
https://doi.org/10.1039/D1CE01080H
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.147/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2021,23, 7425-7441
https://doi.org/10.1039/D1CE00995H
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.
CrystEngComm, 2021,23, 7525-7533
https://doi.org/10.1039/D1CE01197A
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.
CrystEngComm, 2021,23, 7462-7470
https://doi.org/10.1039/D1CE01040A
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.147/content/NewImages/open-access-icon-orange.png)
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%).
CrystEngComm, 2021,23, 7278-7288
https://doi.org/10.1039/D1CE01149A
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.
CrystEngComm, 2021,23, 7324-7333
https://doi.org/10.1039/D1CE01001H
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.
CrystEngComm, 2021,23, 7298-7304
https://doi.org/10.1039/D1CE00916H
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.
CrystEngComm, 2021,23, 7262-7269
https://doi.org/10.1039/D1CE00899D
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.
CrystEngComm, 2021,23, 7072-7080
https://doi.org/10.1039/D1CE00797A
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.
CrystEngComm, 2021,23, 7151-7161
https://doi.org/10.1039/D1CE00936B
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.
CrystEngComm, 2021,23, 6915-6922
https://doi.org/10.1039/D1CE00854D
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.
CrystEngComm, 2021,23, 6952-6966
https://doi.org/10.1039/D1CE01099A
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.147/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2021,23, 6755-6760
https://doi.org/10.1039/D1CE01075A
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.
CrystEngComm, 2021,23, 6769-6777
https://doi.org/10.1039/D1CE00927C
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.
CrystEngComm, 2021,23, 6690-6702
https://doi.org/10.1039/D1CE00945A
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.
CrystEngComm, 2021,23, 6724-6735
https://doi.org/10.1039/D1CE00855B
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.
CrystEngComm, 2021,23, 6620-6625
https://doi.org/10.1039/D1CE00902H
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.
CrystEngComm, 2021,23, 6582-6590
https://doi.org/10.1039/D1CE01024G
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.147/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2021,23, 6506-6517
https://doi.org/10.1039/D1CE00970B
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.147/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2021,23, 6359-6364
https://doi.org/10.1039/D1CE00892G
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.
CrystEngComm, 2021,23, 6365-6375
https://doi.org/10.1039/D1CE00862E
About this collection
The latest research on Supramolecular & Polymorphism published in CrystEngComm.