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Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

June 2015 issue

Highlighted illustration

Cover illustration: The crystal structure of a copper(II) complex of 2,6-di­acetyl­pyridine bis­(thio­semicarbazone) displays partial conversion of a thio­amide group to nitrile. The compound formation is correlated to its potential as a therapeutic tool for Alzheimer's disease and other neurodegenerative diseases. See Vieira, Thompson, Beraldo & Storr [Acta Cryst. (2015), C71, 430-434].

research papers


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Two tricarbonyl complexes of rhenium(I) and manganese(I) coordinated by the tridentate ligand 2-{[2-(1H-imidazol-4-yl)eth­yl]imino­meth­yl}-5-methyl­phenolate in a distorted octa­hedral environment are reported with inter­esting structural similarities. Hydrogen-bond inter­actions result in two-dimensional networks and π–π stacking for both structures.

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The crystal structure of a copper(II) complex of 2,6-di­acetyl­pyridine bis­(thio­semicarbazone) displays partial conversion of a thio­amide group to nitrile. The compound formation is correlated to its potential as a therapeutic tool for Alzheimer's disease and other neurodegenerative diseases.

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A two-dimensional MnII coordination polymer, obtained by the self-assembly reaction of Mn(ClO4)2·6H2O, NH4SCN and bent 2,6-bis­(imidazol-1-yl)pyridine, features a unique two-dimensional (4,4) network with one-dimensional channels. The compound shows a strong luminescence emission and is highly sensitive for nitro­benzene detection.

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The determination of space groups remains problematic in some special cases. A systematic investigation reveals that NaVO2F2 exists in at least four polymorphs, i.e. P21, P21/m, P21/c and one or more low-temperature ones. Subtle changes (e.g. atomic shifts and the ordered or partially ordered distribution of atoms) in crystals may lead to different space groups. These subtle changes are often not detectable with the popular computer programs when they fall within the default distance tolerances.

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A binuclear iron–gold complex was prepared by the reaction of K[CpFe(CO)2] (Cp is cyclo­penta­dien­yl) with (NHC)AuCl [NHC = 1,3-bis­(2,6-diiso­propyl­phen­yl)imidazol-2-yl­idene]. This is the first example of a two-coordinated Au atom bonded to an Fe and a C atom of an N-heterocyclic carbene.

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The reaction between p-benzo­quinone and a 1,3-di­thiole phospho­nium salt, deprotonated by lithium hexa­methyl­disilazide (LiHMDS), gave a product mixture from which the Michael adduct was isolated.

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The detailed structure of the first stable monosubstituted sulfur diimide, namely 4-(4-methylphenyl)-1,3-diaza-2,4-dithiabuta-1,2-diene, is reported. This structure is compared with the only other example of a monosubstituted sulfur diimide crystal structure published to date, and differences in bonding, conformation and packing are observed.

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In 3-nitrato-3,3-bis­(tri­phenyl­phosphane)-3-rhoda-1,2-dicarba-closo-dodeca­borane(11), the nitrate ligand lies cis with respect to both cage C atoms. Accordingly, the compound displays a pronounced preferred exopolyhedral ligand orientation (ELO) which is traced to both the greater trans influence of the cage B over the cage C atoms and the greater trans influence of the tri­phenyl­phosphane ligands over the nitrate ligand.

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The crystal structure of an alkaline monoprotonated deca­vanadate hydrate was determined from single-crystal X-ray diffraction data. Structural relationships among protonated and deprotonated deca­vanadates with inorganic cations, including minerals of the pascoite group, are discussed.

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The coordination polymer formed from the reaction of Cd(Ac)2 with succinic acid and 1-[(1H-benzimidazol-2-yl)meth­yl]-1H-tetra­zole in water–methanol solution displays a two-dimensional structure and inter­molecular hydrogen-bonding inter­actions play an important role in the formation of the polymer structure. In addition, the polymer exhibits a strong fluorescence emission in the solid state at room temperature.

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When crystallized in the presence of air, anhydrous triphenyl(2,4,5-trimeth­oxybenzyl)phospho­nium chloride forms a stoichiometric monohydrate, in which the components are linked into sheets by a combination of O—H⋯Cl and C—H⋯O hydrogen bonds. The Wittig reaction of the anhydrous salt with substituted benzaldehydes gives a series of stilbenes and the mol­ecular geometry of (Z)-2,2′,4,4′,5,5′-hexa­meth­oxy­stilbene provides evidence for steric congestion, leading to a nonplanar central alkene unit.

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A threefold inter­penetrated three-dimensional framework with α-Po topology composed of cadmium(II) and 3,3′-(diazenedi­yl)di­ben­zoate and 1,4-bis­(1H-imidazol-1-yl)butane ligands was synthesized and characterized. The complex was found to exhibit a blue fluorescence in the solid state.

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The crystal structures of two 1,3,5-tri­aryl-2,4-dibenzoyl­cyclo­hexan-1-ols have been confirmed by NMR studies. One diastereomer of one of the cyclo­hexa­nols possesses the same configuration as the other cyclo­hexa­nol. In both cyclo­hexa­nols, the cyclo­hexane ring adopts a chair conformation with all bulky groups (benzoyl, phenyl and 2-meth­oxy­phen­yl) in equatorial positions.

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The structures of the isomorphous K and Rb coordination complexes with 4-nitro­benzoic acid have been determined and they are included in a brief review of the overall metal stereochemical features among the alkali metal complex series with this acid.

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A ternary hexa­erbium triacontacobalt enneakaideca­silicide, ErCo5Si3.17, crystallizes as a combination of disordered variants of the hexa­gonal UCo5Si3 (P63/m) and Yb6Co30P19 (P\overline{6}) structure types and is closely related to the Sc6Co30Si19 and Ce6Rh30Si19 types. Crystallochemistry analysis and the data from electronic structure calculations (TB–LMTO–ASA) suggest that the Er atoms form positively charged cations which compensate the negative charge of the [Co12Si9]m polyanions.

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Chiral dimeth­yl[N-(4-oxidopent-3-en-2-yl­idene)valinato-κ3O,N,O′]silicon(IV) undergoes two sharp enanti­otropic phase transitions upon cooling. Both phase transitions are fully reversible and correspond to order–disorder transitions of the isopropyl group of the valine unit in the ligand backbone. The phase transitions presented here raise questions, since they do not fit into the rules of group–subgroup relationships.

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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