Themed collection International Year of Crystallography Celebration: Europe and South Africa
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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.
CrystEngComm, 2014,16, 8093-8093
https://doi.org/10.1039/C4CE90109F
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.150/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2014,16, 8102-8105
https://doi.org/10.1039/C4CE01514B
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.150/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2014,16, 8098-8101
https://doi.org/10.1039/C4CE00729H
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.
CrystEngComm, 2014,16, 8094-8097
https://doi.org/10.1039/C4CE00486H
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.
CrystEngComm, 2014,16, 9603-9611
https://doi.org/10.1039/C4CE01495B
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.
CrystEngComm, 2014,16, 8252-8262
https://doi.org/10.1039/C4CE00549J
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.
CrystEngComm, 2014,16, 8147-8159
https://doi.org/10.1039/C4CE00748D
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.
CrystEngComm, 2014,16, 8205-8213
https://doi.org/10.1039/C4CE01046A
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.
CrystEngComm, 2014,16, 8263-8271
https://doi.org/10.1039/C4CE00675E
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.
CrystEngComm, 2014,16, 8138-8146
https://doi.org/10.1039/C4CE00467A
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.150/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2014,16, 8279-8285
https://doi.org/10.1039/C4CE00241E
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.
CrystEngComm, 2014,16, 8286-8296
https://doi.org/10.1039/C4CE00511B
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.
CrystEngComm, 2014,16, 8106-8118
https://doi.org/10.1039/C4CE00834K
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.150/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2014,16, 8272-8278
https://doi.org/10.1039/C4CE00472H
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.150/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2014,16, 8243-8251
https://doi.org/10.1039/C4CE00605D
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.
CrystEngComm, 2014,16, 8185-8196
https://doi.org/10.1039/C4CE00353E
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.
CrystEngComm, 2014,16, 8232-8242
https://doi.org/10.1039/C4CE00505H
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.
CrystEngComm, 2014,16, 8214-8223
https://doi.org/10.1039/C4CE00498A
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.
CrystEngComm, 2014,16, 8197-8204
https://doi.org/10.1039/C4CE00508B
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.150/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2014,16, 8160-8168
https://doi.org/10.1039/C4CE00496E
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).
CrystEngComm, 2014,16, 8224-8231
https://doi.org/10.1039/C4CE00480A
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.
CrystEngComm, 2014,16, 8177-8184
https://doi.org/10.1039/C4CE00587B
![Open Access](https://www.rsc-cdn.org/pubs-core/2022.0.150/content/NewImages/open-access-icon-orange.png)
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.
CrystEngComm, 2014,16, 8169-8176
https://doi.org/10.1039/C4CE00329B
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)].
CrystEngComm, 2014,16, 8119-8137
https://doi.org/10.1039/C4CE00465E
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.