issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

August 2016 issue

Highlighted illustration

Cover illustration: The crystal structure of a valinomycin complex with an encapsulated [Mg(H2O)6]2+ ion as an independent structural unit is described. The new cation-binding mode exhibited by valinomycin, a cyclic dodecadepsipeptide, occurs via hydrogen bonds from the coordinated water mol­ecules of the hexa­hydrate cation, instead of via direct links to the cation. The inter­action of the [Mg(H2O)6]2+ ion with the cyclic polypeptide has important implications for the study of metal binding with biological models under physiological (aqueous) conditions. See Fujita, Kazerouni & Bacsa [Acta Cryst. (2016), C72, 627-633].

research papers


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A novel heterotrinuclear CuII–NiII–CuII complex based on 2,2′-[propane-1,3-diylbis(nitrilo­methanylyl­idene)]diphenol (H2L) has been assembled by the reaction of the `ligand complex' [CuL] with Ni(OAc)2·4H2O in the presence of dicyanamide. The structure and the solid-state thermal and photoluminescence behaviours of the complex are discussed.

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In the crystal structure of 2-(2-hy­droxy­eth­yl)-1-(2-hy­droxy­phen­yl)-6,7-dimeth­oxy-1,2,3,4-tetra­hydro­iso­quinoline, the asymmetric unit contains two mol­ecules related by a pseudo-translation and the mol­ecules show slightly different conformations.

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Crystallization of (4-fluoro­phen­yl)pyrazole with 2,4,6-tri­nitro­phenol gives a salt, but a similar crystallization of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzene­sulfonamide with 3,5-di­nitro­benzoic acid gives a 1:1 cocrystal containing neutral mol­ecules. The ionic components in the salt form a three-dimensional hydrogen-bonded structure and the neutral components in the cocrystal form complex hydrogen-bonded bilayers.

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The reactions of two 3-(2-allyl­anilino)-3-phenyl­acrylate esters with acetic anhydride and with strong acids give a number of products, most of them unexpected. The structures of two of the crystalline examples of the unexpected products, namely 3-acetyl-8-allyl-6-methyl-2-phenyl­quinolin-4-yl acetate and (2RS)-2,8-dimethyl-4-phenyl-1,2-di­hydro-6H-pyrrolo­[3,2,1-ij]quinolin-6-one, are reported.

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The crystal structure of a valinomycin complex with an encapsulated [Mg(H2O)6]2+ ion as an independent structural unit is described. The new cation-binding mode exhibited by valinomycin, a cyclic dodecadepsipeptide, occurs via hydrogen bonds from the coordinated water mol­ecules of the hexa­hydrate cation, instead of via direct links to the cation. The inter­action of the [Mg(H2O)6]2+ ion with the cyclic polypeptide has important implications for the study of metal binding with biological models under physiological (aqueous) conditions.

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One cocrystal structure of 6-propyl-2-thio­uracil and two cocrystal structures of the structurally related compound 6-meth­oxy­methyl-2-thio­uracil with coformers containing the 2,4-di­amino­pyrimidine substructure are presented, as well as four solvates of 6-meth­oxy­methyl-2-thio­uracil. In the cocrystal structures of 6-meth­oxy­methyl-2-thio­uracil, the triply hydrogen-bonded N—H⋯O/N/S synthon is observed accompanied by a conformational change of the side chain compared to the solvate structures, while for 6-propyl-2-thio­uracil, a doubly hydrogen-bonded inter­action is observed instead.

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The crystal structure of Sr7V4Te12O41 exhibits a one-dimensional latticework along the a axis comprised of paired Sr3Te3Ox units, namely Sr6Te6O2x+1, with corner-shared TeO4 polyhedra. The Sr6Te6O2x+1 latticework is helical and is layered in the b-axis direction against sheets of corner-shared VO4 tetra­hedra, and is linked in the c-axis direction via individual corner-shared SrO8 square prisms.

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A novel two-dimensional CuII/CuI coordination polymer, with a (2,3)-connected topological network, was assembled from 2-(pyridin-3-yl)-1H-imidazole-4,5-di­carboxyl­ate. Susceptibility measurements indicate weak ferromagnetic coupling.

Special and virtual issues

Acta Crystallographica Section C is planning special issues on

NMR Crystallography

Scorpionates: a golden anniversary

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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