issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

December 2019 issue

Highlighted illustration

Cover illustration: A structural study of a high-pressure phase of magnesium chloride hexa­hydrate (MgCl2·6H2O-II) showed symmetry reduction of the crystal structure from its ambient-pressure phase. This change is induced by modification of the hydrogen-bond network. See Yamashita, Komatsu, Hattori, Machida & Kagi [Acta Cryst. (2019), C75, 1605-1612].

research papers


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New CdII and MnII coordination polymers (CPs) have been prepared using 5-[(4-carb­oxy­phen­oxy)meth­yl]benzene-1,3-di­carb­oxy­lic acid and 2,2′-bi­pyridine under hydro­thermal conditions. The former CP displays a 3D supra­molecular structure extended from 2D layers by inter­molecular π–π inter­actions, while the latter shows a different 3D supra­molecular structure extended from 1D ladder chains by inter­molecular π–π inter­actions. The results suggest that the metal ion and π–π inter­actions play important roles in the design and construction of various CPs.

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The crystal of DL-phenyl­glycinium tri­fluoro­methane­sulfonate monohydrate dehydrates in one step at 353 K and is preceded by a weakening of the aromatic ring–aromatic ring inter­actions. The loss of water is accom­panied by the breakage of medium-strength hydrogen bonds and the rearrangement of ions inside layers. The dehydration process induces a single-crystal-to-poly-crystal transformation.

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Three coordination polymers based on 3,3′-[(5-carb­oxy-1,3-phenyl­ene)bis­(­oxy)]di­benzoic acid and 1,10-phenanthroline have been prepared and structurally characterized, and the magnetic properties of the NiII/CoII com­plexes and the luminescence properties of the ZnII com­plex were investigated.

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A novel multifunctional 1D→2D inter­penetrating CoII–organic framework was successfully constructed using 2-amino-5-sulfo­benzoic acid and 1,4-bis­[(imidazol-1-yl)meth­yl]benzene as ligands.

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A structural study of a high-pressure phase of magnesium chloride hexa­hydrate (MgCl2·6H2O-II) showed symmetry reduction of the crystal structure from its ambient-pressure phase. This change is induced by modification of the hydrogen-bond network.

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The salt bis­(tetra­phenyl­arsonium) hexa­fluorido­technetate(IV) dihydrate, (AsPh4)2[TcF6]·2H2O, was prepared for the first time from a cation metathesis reaction of (NH4)2[TcF6] in water.

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Three new aminocoumarin derivatives show hydrogen bonds and rich π–π stacking, together with π⋯H inter­actions. They display absorption maxima in the visible region, attributed to π–π delocalization involving the whole electronic system of the com­pounds with a considerable charge-transfer character originating from the amino­phenyl ring and pointing towards the coumarin system which is characterized by a high electron-accepting character.

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Two isomorphic viologen derivatives both possess only one electron-transfer pathway, but they exhibit different photoresponsive behaviours relating to the distances between the halide anions and the cationic N atoms of 1-(2-cyano­benz­yl)-4,4′-bi­pyri­din­ium.

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The structures of the cocrystalline adducts of 3-nitro­phenol with 1,3,5,7-tetra­aza­tri­cyclo­[3.3.1.13,7]decane, 1,3,6,8-tetra­aza­tri­cyclo­[4.3.1.13,8]undecane and 1,3,6,8-tetra­aza­tri­cyclo­[4.4.1.13,8]dodecane are reported. The three cocrystals were obtained by the solvent-free assisted grinding method.

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A multicom­ponent pharmaceutical salt formed by the iso­quinoline alkaloid berberine (BBR) and the nonsteroidal anti-inflammatory drug diclofenac (DIC) was discovered. Five solvates of the BBR–DIC salt were obtained and their crystal structures determined.

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The reactivities of two 20-membered macrocyclic ligands, each containing two N-heterocyclic carbene (NHC) and two amine groups, towards [IrCl(COD)]2 (COD is cyclo­octa-1,5-diene) were investigated.

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Dinuclear cobalt(II) and nickel(II) com­plexes were obtained from a mercapto­acetic acid substituted 1,2,4-triazole ligand. The com­plexes show distinct supermolecular structures because of the different coordinated and guest mol­ecules, and both show potent urease inhibitory activity.

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A novel (3,6)-connected CdII coordination polymer based on an ether-linked tri­carboxyl­ate ligand has been synthesized, structurally studied and shows good stability and promising luminescence sensing properties.

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The possibility of a one-stage solvent-free stereoselective synthesis of a spiro­cyclic quinazoline derivative is described for the first time. An X-ray diffraction study of the crystal structure of the chiral spiro­cyclic com­pound obtained was carried out and its porosity was studied.

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4-(Pyridin-2-yl)pyrimidin-2-amine is structurally distinct with respect to the position of the N atom in the pyridine ring com­pared with the structure of imatinib, which is an excellent inhibitor of Bcr-Abl tyrosine kinase. The inter­action energies of this relatively small ligand in the active pocket of the protein indicate its potential.

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Three coordination polymers self-assembled from a new asymmetrical oxa­diazole-containing ligand and AgPF6, CuI and Cd(NO3)2 are reported, together with their structural characterization and photoluminescence properties.

Special and virtual issues

Acta Crystallographica Section C has recently published special issues on

NMR Crystallography (March 2017)

Scorpionates: a golden anniversary (November 2016)

Full details are available on the special issues page.

The latest virtual issue features Coordination polymers, with an introduction by Len Barbour.

What are the 'most read' articles from the recent special issues?

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