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Themed collection International Year of Crystallography Celebration: Europe and South Africa

24 items
Editorial

International Year of Crystallography Celebration: Europe and South Africa

Welcome to this CrystEngComm themed issue celebrating the 2014 International Year of Crystallography in Europe and South Africa.

Graphical abstract: International Year of Crystallography Celebration: Europe and South Africa
Open Access Communication

Orthogonal halogen and hydrogen bonds involving a peptide bond model

N-Methylacetamide, a well-known peptide bond model, and dihalotetrafluorobenzenes form co-crystals and show geometrically orthogonal hydrogen and halogen bonds sharing the same carbonyl oxygen atom.

Graphical abstract: Orthogonal halogen and hydrogen bonds involving a peptide bond model
Open Access Communication

Assembly of a calix[4]arene-supported MnIIIMnII cluster mediated by halogen interactions

A new calix[4]arene-supported MnIIIMnII cluster assembles in a layered manner through halogen interactions; structural and magnetic properties of this new cluster are presented.

Graphical abstract: Assembly of a calix[4]arene-supported MnIIIMnII cluster mediated by halogen interactions
Communication

Microporous metal–organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors

A series of related MOFs built from the rigid tetrahedral H4ttps ligand with Mn(II), Cu(II) or Cd(II) metal based nodes exhibiting rare fluorite or garnet topologies have been synthesised and characterised and are compared to one another.

Graphical abstract: Microporous metal–organic frameworks built from rigid tetrahedral tetrakis(4-tetrazolylphenyl)silane connectors
Paper

Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals

This work focuses on caffeine and its ability to form cocrystals with dicarboxylic acids, considering the relative solubilities of both components rather than their stoichiometric ratio.

Graphical abstract: Solution cocrystallization, an effective tool to explore the variety of cocrystal systems: caffeine/dicarboxylic acid cocrystals
Paper

Improvement of the water solubility of tolfenamic acid by new multiple-component crystals produced by mechanochemical methods

Tolfenamic acid (HTA) is a drug characterized by very poor solubility in water. By mechanochemical methods, new solid-state forms of HTA were obtained, showing better thermal stability than pure HTA and an improved dissolution rate.

Graphical abstract: Improvement of the water solubility of tolfenamic acid by new multiple-component crystals produced by mechanochemical methods
Paper

The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts

A study of the potential of melamine to form layers in crystal structures of its solvates, co-crystals and salts.

Graphical abstract: The influence of hydrogen bonding on the planar arrangement of melamine in crystal structures of its solvates, cocrystals and salts
Paper

Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene

The solid state behaviour of 1,1,4,4-tetraphenyl-1,3-butadiene (TPB), a well-known blue luminescent molecule, is presented. The crystal structures of four polymorphs and one solvate form are discussed and the experimental occurrence of the four polymorphs is rationalized.

Graphical abstract: Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene
Paper

Thermal and photochemical control of nitro–nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]

[Ni(medpt)(NO2)(η2-ONO)] displays an equilibrium between the η1-NO2 and the η1-ONO linkage isomers between 150–298 K; upon photoactivation at 100 K the percentage of the η1-ONO isomer increases.

Graphical abstract: Thermal and photochemical control of nitro–nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)]
Paper

Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation

Propylated cyclotriveratrylene ligands with N-donor groups form coordination polymers where the propyl groups aggregate or form a Pd6L4 cage.

Graphical abstract: Tuning the coordination chemistry of cyclotriveratrylene ligand pairs through alkyl chain aggregation
Open Access Paper

Halogen⋯halogen contra C–H⋯halogen interactions

Low-pressure CH3Br polymorph α is governed by Br⋯Br bonds and is isostructural with CH3I crystals. Above 1.5 GPa CH3Br transforms to phase β, composed of interweaved C–H⋯Br bonded network isostructural with that in solid CH3Cl. Electrostatic matching and close packing favour the C–H⋯Br bonds, competing with Br⋯Br contacts. Both types of CH3X (X = Cl, Br, I) structures approximate the isostructural X2 crystals.

Graphical abstract: Halogen⋯halogen contra C–H⋯halogen interactions
Paper

Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5′-monophosphate: a comprehensive study of calcium reactivity towards building units of nucleic acids

Six new Ca(II) adducts with cytosine (cyt), cytidine (H2cyd) and cytidine 5′-monophosphate (CMP) are presented. H2cyd and CMP show unprecedented binding sites for the calcium ion.

Graphical abstract: Ca2+ metal ion adducts with cytosine, cytidine and cytidine 5′-monophosphate: a comprehensive study of calcium reactivity towards building units of nucleic acids
Paper

Influence of the coligand in the magnetic properties of a series of copper(II)–phenylmalonate complexes

The magnetic properties of a series of copper(II)–phenylmalonate complexes are tuned by the pyridine-type coligand.

Graphical abstract: Influence of the coligand in the magnetic properties of a series of copper(ii)–phenylmalonate complexes
Open Access Paper

Evaluation of the formation pathways of cocrystal polymorphs in liquid-assisted syntheses

Small but important: the kind of solvent added in liquid-assisted grinding syntheses of cocrystals influences the final product and the reaction rate.

Graphical abstract: Evaluation of the formation pathways of cocrystal polymorphs in liquid-assisted syntheses
Open Access Paper

Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids

This amino acid derived (red&blue) π-stacked (green) hydrogen bonded (striped) dimer forms a pcu-net with water molecules in the narrow channels. Four related molecules are also presented and all were subjected to graph set and Hirshfeld surface analyses.

Graphical abstract: Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids
Paper

Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen

Amino acids are efficient cocrystal formers towards the compounds that contain a carboxyl group: among levetiracetam, S-naproxen, S-oxiracetam, and S-diprophylline, only S-naproxen yielded cocrystals.

Graphical abstract: Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen
Paper

The nature of the C–Cl⋯Cl–C intermolecular interactions found in molecular crystals: a general theoretical-database study covering the 2.75–4.0 Å range

An exhaustive study of the nature of the C–Cl⋯Cl–C interactions found in crystals has been carried out at the MP2/aug-cc-pVDZ level using model dimers and a set of 45 dimers with Cl⋯Cl distances in the 2.75–4 Å range.

Graphical abstract: The nature of the C–Cl⋯Cl–C intermolecular interactions found in molecular crystals: a general theoretical-database study covering the 2.75–4.0 Å range
Paper

The polymorphism of a triarylphosphine oxide: a case of missing isomers

An experimental and computational study of the polymorphism of o-nitrophenyldiphenylphosphine oxide (1) has been carried out raising the question of why the anti polymorphs, more stable than the observed syn conformations according to our computations, have not been found.

Graphical abstract: The polymorphism of a triarylphosphine oxide: a case of missing isomers
Paper

Structure and stability of two polymorphs of creatine and its monohydrate

A multidisciplinary study of the transformations and structure property relationships of creatine polymorphs and creatine monohydrate.

Graphical abstract: Structure and stability of two polymorphs of creatine and its monohydrate
Open Access Paper

The role of C–H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies

Higher uptake of longer chain alcohol vapours by a flexible 2D Zn-framework 1 is attributed to C–H⋯π interactions with hydrophobic channel walls.

Graphical abstract: The role of C–H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies
Paper

Reversible recrystallization process of copper and silver thioacetamide–halide coordination polymers and their basic building blocks

Three-dimensional [CuX(TAA)]n (X = Br (1), I (2)) and bi-dimensional [AgX(TAA)]n (X = Cl (3), Br (4)) coordination polymers have been isolated by the direct synthesis from copper(I) and silver(I) halides and thioacetamide (TAA).

Graphical abstract: Reversible recrystallization process of copper and silver thioacetamide–halide coordination polymers and their basic building blocks
Paper

Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes

The persistence of the acid⋯amide heterodimer and the effect of methyl substitution on the short strong O–H⋯O hydrogen bond is investigated in urea and methylurea di-carboxylic acid molecular complexes. Temperature dependent structural changes are also reported utilising X-ray and neutron diffraction in tandem.

Graphical abstract: Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes
Open Access Paper

Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction

[GeBr2{o-C6H4(PMe2)2}] undergoes a phase transition, involving a change in the aromatic⋯aromatic interface.

Graphical abstract: Exploring secondary bonding in p-block chemistry – an experimental study of [GeX2{o-C6H4(PMe2)2}] using variable pressure single crystal X-ray diffraction
Paper

Coordination polymers based on a glycine-derivative ligand

The combination of a glycine-derivative supramolecular salt with lanthanide(III) chloride hydrates under hydrothermal conditions (120 °C, 48 h) produced a family of isotypical materials formulated as [Ln(bodt)(Hbodt)].

Graphical abstract: Coordination polymers based on a glycine-derivative ligand
24 items

About this collection

CrystEngComm is celebrating the 2014 International Year of Crystallography (IYCr) with a series of themed issues focusing on crystal engineering research from around the world.

Guest edited by Dario Braga and Michaele Hardie, the Europe issue highlights some of the latest research from this community.

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