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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.
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