issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

October 2018 issue

Highlighted illustration

Cover illustration: The cytotoxicities of 4-thio­pyrimidine derivatives obtained from ethyl 4-methyl-2-phenyl-6-sulfanyl­pyrimidine-5-carboxyl­ate were examined against Human umbilical vein endothelial cells (HUVEC) and HeLa, K562 and CFPAC cancer cell lines. The presence of hy­droxy­methyl and methyl groups offers an inter­esting new insight into the structures and behaviour of these derivatives. See Stolarczyk, Bryndal, Matera-Witkiewicz, Lis, Królewska-Golinska, Cieslak, Kazmierczak-Baranska & Cieplik [Acta Cryst. (2018), C74, 1138-1145].

research papers


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An unpredicted fourfold screw N—H⋯O hydrogen bond C(4) motif in the primary dicarboxamide trans-cyclo­hexane-1,4-dicarboxamide was investigated by single-crystal X-ray diffraction and IR and Raman spectroscopies. Based on the results, a structural model is proposed which helps to rationalize the unusual fourfold screw mol­ecular arrangement.

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The crystal structure of the M phase, (MnxZn1–x)2V2O7 (0.75 < x < 0.913), can be described as a distortion of the thortveitite-type crystal structure of β-Mn2V2O7. The distortions which give rise to the M phase from the β-Mn2V2O7 prototype are noticeably less pronounced than the distortions introduced when β-Mn2V2O7 transforms at low temperature to α-Mn2V2O7. A twofold superstructure in the diffraction patterns of crystals of the M phase used for single-crystal X-ray diffraction work arises from twinning by reticular pseudomerohedry.

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The heteropolyoxometalate compound (C6H8N)5[HAs2Mo6O26(H2O)]·3H2O contains a new [HAs2Mo6O26(H2O)]5− polyanion. Crystallographic analysis provided an understanding of the architecture and structural features of the complex crystal lattice and Hirshfeld surface analysis shed more light on the inter­molecular inter­actions occurring in the crystal.

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The structures of eight Schiff bases derived from various salicyl­aldehydes are reported: five of them are new and three are re-investigations of previously reported examples. Of the eight, six adopt the phenol–imine constitution and the other two adopt the keto–amine form; two of the phenol–imine examples exhibit conformational disorder.

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Structures of 2-{[(2-meth­oxy­phen­yl)imino]­meth­yl}phenoxide complexes of rare-earth metals are controlled by steric congestion influenced by the rare-earth ionic radius, leading to three different coordination modes of the ligand.

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The structures of two dinuclear ReI complexes are reported, one with a 2,2′-sulfanediyldi(ethanethiol­ate) bridging ligand and the other with three 2-meth­oxy­benzene­thiol­ate bridging ligands. Two mononuclear ReI complexes have also been characterized by spectral methods.

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A cobalt(II) compound, prepared by the reaction of Co(NO3)2·6H2O with biphenyl-4,4′-diyldi­carb­oxy­lic acid and bis­[4-(2-methyl-1H-imidazol-1-yl)phen­yl] ether in a mixture of H2O and di­methyl­formamide, possesses an achiral two-dimensional layer based on opposite-handed helical chains and exhibits highly photocatalytic degradation activity for the degradation of methyl­ene blue at room temperature.

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A new CdII coordination polymer based on 2,2′-(1,2-phenyl­ene)bis­(1H-imidazole-4,5-di­carb­oxy­lic acid) has been prepared and structurally characterized. The polymer exhibits a one-dimensional structure, in which H2Phbidc4− anions coordinate to CdII ions in an octa­dentate mode.

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Poly[(μ2-formato)[μ2-4-(pyridin-4-yl)benzoato]zinc(II)] contains two independent structural units in the asymmetric unit, forming two similar two-dimensional (2D) layer structures. These similar 2D layers are arranged alternately and are linked with each other by dense C—H⋯O hydrogen bonds to generate a three-dimensional supra­molecular framework.

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The cytotoxicities of 4-thio­pyrimidine derivatives obtained from ethyl 4-methyl-2-phenyl-6-sulfanyl­pyrimidine-5-carboxyl­ate were examined against Human umbilical vein endothelial cells (HUVEC) and HeLa, K562 and CFPAC cancer cell lines. The presence of hy­droxy­methyl and methyl groups offers an inter­esting new insight into the structures and behaviour of these derivatives.

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Two one-dimensional alkali-metal germanophosphates (GePOs), namely, HRb3Ge2(HPO4)6 and CsGe(HPO4)2(OH), have been prepared by the solvothermal method. The former shows one-dimensional (1D) [Ge(HPO4)6] chains along the c axis and the latter shows 1D [Ge(HPO4)4(OH)2] chains.

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It was found that the structure of disodium guanosine 5′-monophosphate tetra­hydrate differs markedly from that of the hepta­hydrate, but greatly resembles that of disodium de­oxy­guanosine 5′-monophosphate tetra­hydrate.

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The crystal structures of four isostructural citrate salts, LiMHC6H5O7 (M = Li, Na, K and Rb), have been solved and refined using laboratory powder X-ray diffraction data and optimized using density functional techniques.

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Four 3,5-bis­(aryl­idene)-N-benzene­sulfonyl-4-piperidone derivatives were synthesized and their structures were confirmed by single-crystal X-ray diffraction. Preliminary evaluations were conducted on their anti-inflammatory activity by evaluating their inhibitory effects on LPS-induced IL-6 and TNF-α secretion.

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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