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Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

October 2017 issue

Highlighted illustration

Cover illustration: Cocaethylene is a narcotic produced in vivo when cocaine and ethanol are administered concomitantly. The molecular conformation and supramolecular architecture of cocaethylene have been determined for the first time. See Maia, Martins, da Silva Neto, Alves & De Fátima [Acta Cryst. (2017), C73, 780-783].

research papers


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A new polymorph of ferrocene­carb­oxy­lic anhydride was obtained, characterized and its structural features compared with those of other cyclo­penta­diene­carb­oxy­lic anhydrides.

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Two cocrystals of 2,6-di­amino­pyridine with the active pharmaceutical ingredients (APIs) piracetam and theophylline were prepared by the solvent-assisted grinding method.

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The compound Cs3(H1.5PO4)2·2H2O has been synthesized and its crystal structure has been determined. The thermal and proton-transport properties of the compound have been investigated.

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Cocaethylene is a narcotic produced in vivo when cocaine and ethanol are administered concomitantly. The molecular conformation and supramolecular architecture of cocaethylene have been determined for the first time.

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Structures are reported for four compounds along a synthetic pathway to bi­pyrazoles. The supra­molecular assemblies range from isolated mol­ecules via a simple hydrogen-bonded chain of rings and a ribbon of edge-fused hydrogen-bonded rings to a hydrogen-bonded sheet.

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Although 4,4′-bis­[5-(meth­oxy­carbonyl)pentyl­oxy]biphenyl (BBO6-Me) and 4,4′-bis­[5-(eth­oxy­carbonyl)pentyl­oxy]biphenyl (BBO6-Et) are isostructural, BBO6-Me behaves as an organo­gelator, whereas BBO6-Et does not under the conditions examined. Inter­molecular inter­actions are explored using Hirshfeld surfaces, fingerprint plots, interaction energies, and energy frameworks.

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The structures of three packing polymorphs and one hydrate of a potentially tuberculostatic derivative of hydrazide were determined by X-ray diffraction.

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N—H⋯X (X = Cl and Br) hydrogen bonds are the dominating short contacts in three isomorphous 3,5-di­chloro­pyridinium salts. Triangular halogen inter­actions contribute to a minor extent.

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The crystal structure of hy­droxy­tropylium chloride represents the first crystallographic characterization of an unfunctionalized hy­droxy­tropylium ion.

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Intermolecular sp- and sp2-C—H⋯O hydrogen bonds dominate the intermolecular interactions in the structures of a series of 1,2-di­alk­oxy-4-ethynyl-5-nitro­benzenes, with unexpected beauty and diversity.

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The first heteroleptic di­aryl­phosphate rare-earth complexes have been obtained. Three crystal structures of [Ln{O2P(O-2,6-iPr2C6H3)2}2Cl(CH3OH)4]·2CH3OH (Ln = Nd, Lu and Y) are isomorphous and exhibit intra- and inter­molecular hydrogen bonding, forming a two-dimensional inter­molecular framework. The complex [Nd{O2P(O-2,6-iPr2C6H3)2}2(NO3)(CH3OH)4]·2CH3OH demonstrates an analogous crystal structure.

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A new CdII coordination polymer based on 2-(1H-imidazol-1-ylmeth­yl)-6-methyl-1H-benzimidazole (immb) and benzene-1,2-di­carboxyl­ate (1,2-bdic2−) ligands has been prepared and structurally characterized. The CdII ions are linked by bridging immb and 1,2-bdic2− ligands to generate a two-dimensional network structure.

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The crystal structures of three closely related N-aryl-2,5-di­meth­oxy­benzene­sulfonamides display different supra­molecular architectures built by various weak inter­molecular inter­actions of the types C—H⋯O, C—H⋯Cl, C—H⋯π(ar­yl), π(ar­yl)–π(ar­yl) and Cl⋯Cl. Hirshfeld surface analysis of these compounds has also been conducted in order to understand the relationship between the crystal structures.

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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