issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

August 2015 issue

Highlighted illustration

Cover illustration: A simple reaction pathway to alkyl­idene-substituted di­hydro­oxazolones and di­hydro­imidazolo­nes from acyl­glycines is described, along with further reactions of a di­hydro­oxazolone to form either a 2-substituted acyl­glycinehydrazide, which can also be converted into a di­hydro­imidazolone, or a 2-substituted acyl­glycine. The thienyl-substituted products generally exhibit orientational disorder in the thienyl groups, and hydrogen bonding generates a range of zero-, one- and two-dimensional supra­molecular assembly types. See Subbulakshmi, Narayana, Yathirajan, Akkurt, Çelik, Ersanli & Glidewell [Acta Cryst. (2015), C71, 742-751].

research papers


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In a dimeric copper(I) complex bridged by two bis­(N-heterocyclic carbene)pyridine ligands, each CuI atom is almost linearly coordinated and no cuprophilic inter­actions were observed. The complex is a new example of a multinuclear copper N-heterocyclic carbene complex and a member of a compound class which has only rarely been reported.

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Numerous different weak C—H⋯O and C—H⋯π bonds and π–π stacking inter­actions are observed in the structures of four oxazolidine-4-carbohydrazides. None are universal in the four structures and they play an unpredictable role in establishing the packing in this family of compounds.

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Cocrystal or salt? The position of a proton may decide! In the case of a sulfonamide derivative and acetic acid, the answer may depend on temperature.

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In 4,4′-bi­pyridine-1,1′-diium 1,1,3,3-tetra­cyano-2-eth­oxy­propenide, the ions are linked by separate networks of N—H⋯NC, C—H⋯NC and two types of multicenter anion⋯π cation inter­actions. A weak nitrile⋯π inter­action between adjacent anions is also present. DFT calculations were used to estimate the strength of the observed inter­actions.

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In the structure of anisole (meth­oxy­benzene) at 100 K, the arrangement of mol­ecules in the solid state appears to be governed by close packing. No face-to-face π–π stacking of the mol­ecules is observed, but rather edge-to-face inter­actions result in a herringbone packing motif.

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The supra­molecular structures of two novel ferrocenyl dipeptide-like compounds generated via the Ugi four-component reaction are reported.

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Two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-amino­benzoate ligands have different structural forms, i.e. a one-dimensional ladder structure, a one-dimensional chain structure and a binuclear mol­ecular structure. The ligands display versatile coordination modes and can be of use in the construction of metal–organic frameworks with potential practical applications.

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Within the structure of the one-dimensional coordination polymer structure formed from bismuth(III) and 1,10-phenanthroline-2,9-di­carboxyl­ate, each BiIII centre is seven-coordinated by one Cl atom, four carboxyl­ate O atoms and two phenanthroline N atoms in a distorted penta­gonal–bipyramidal arrangement. The three-dimensional supra­molecular architecture is assembled via weak C—H⋯O and C—H⋯Cl hydrogen bonds.

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Two macrocyclic supra­molecular and a one-dimensional CuI-containing coordination polymer have been prepared using symmetrical flexible 1,3,4-oxa­diazole-containing organic ligands. Subtle changes in the flexible ligand geometries and different counter-anions result in remarkable changes in the final structures.

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Monoreduced 1,2-di­hydro­corannulene has been isolated in the form of the potassium salt and structurally characterized for the first time. The X-ray study confirms the previous NMR spectroscopic prediction that the two H atoms are attached to the same six-membered ring to form 1,2-di­hydro­corannulene, thus destroying the aromaticity of only one benzene ring of the corannulene core.

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Of three polymorphs of di­nitro­[tris­(2-amino­eth­yl)amine]­cobalt(III) chloride, two ortho­rhom­bic polymorphs are related by a solid-state enanti­otropic order–disorder phase transition at ca 152 K and the third, monoclinic, polymorph crystallizes as a nonmerohedral twin.

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In a new two-dimensional zinc(II) coordination polymer based on a multidentate N-heterocyclic ligand and 5-carb­oxy­benzene-1,3-di­carboxyl­ate, layers are formed by the ZnII ions being bridged by both types of ligands. Adjacent layers are further connected by hydrogen bonds and π–π inter­actions, resulting in a three-dimensional supra­molecular architecture in the solid state.

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This study describes a unique tin–tetra­pyridyl­porphyrin-based metal–organic framework (MOF) in which square-planar organic linkers are inter­connected via CuI connectors with a tetra­hedral coordination environment into a three-dimensional single-framework architecture of PtS topology.

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The structure of Hg2V2Te2O11 represents a rare example where two corner-sharing XO4 tetra­hedra exhibit a linear X—O—X bridging angle without a noticeable thermal motion or disorder perpendicular to the XX axis. The corresponding [V2O7] divanadate group has a staggered conformation.

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In a new two-dimensional organic–inorganic hybrid cadmium dicyanamide complex with 4-di­methyl­amino-1-ethyl­pyridin-1-ium counter-cations, the CdII cation is octa­hedrally coordinated by six terminal N atoms from six anionic dicyanamide ligands. The potential of this compound as a phase-transition material was investigated.

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Three di­spiroxo­indole derivatives reveal salient features for understanding the diastereoselectivity of the [3+2] cyclo­addition reaction. The trans orientation of carbonyl groups of the oxindole ring systems and the H atoms of the di­hydro­furan ring facilitate C—H⋯O and π–π inter­actions, and contribute to the diastereoselectivity.

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In two isostructural organic–inorganic hybrid halometallate compounds, the metal centres are five-coordinated by bromide anions and the crystal structures consist of one-dimensional edge-sharing chains of MBr5 trigonal bipyramids between which tri­ethyl­choline counter-cations are inter­calated.

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L-Cysteine hydrogen fluoride consists of L-Cys+(L-Cys⋯L-Cys+)F(F⋯HF) units. The A+(AA+) type cation without a doubly charged anion has been found for the first time.

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A simple reaction pathway to alkyl­idene-substituted di­hydro­oxazolones and di­hydro­imidazolo­nes from acyl­glycines is described, along with further reactions of a di­hydro­oxazolone to form either a 2-substituted acyl­glycinehydrazide, which can also be converted into a di­hydro­imidazolone, or a 2-substituted acyl­glycine. The thienyl-substituted products generally exhibit orientational disorder in the thienyl groups, and hydrogen bonding generates a range of zero-, one- and two-dimensional supra­molecular assembly types.

Special and virtual issues

Acta Crystallographica Section C is planning a special issue on

NMR Crystallography

The most recent special issue, published in November 2016, concerned

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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