issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

September 2015 issue

Highlighted illustration

Cover illustration: The rac and meso forms of two bis(metallacarboranes) share the same overall conformation (Co-C-C'-Co' ca 136°) and show clear evidence of intra­molecular steric crowding resulting in tilted cyclo­penta­dienyl ligands. See Mandal, Man, Rosair & Welch [Acta Cryst. (2015), C71, 793-798].

research papers


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The conformational diversity of three aryl­methyl Meldrum's acids in the crystalline state has been studied. Despite the high structural similarity of these aryl­methyl Meldrum's acids, the nature of the different substituents resulted in remarkable differences in both the mol­ecular conformations and the crystal packing arrangements.

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A manganese(II) coordination polymer, which incorporates 5-(1,3-dioxo-4,5,6,7-tetra­phenyl­isoindolin-2-yl)isophthalate, methanol and di­methyl­formamide ligands, shows one-dimensional 2-connected {0} uninodal chain networks, and free di­methyl­formamide mol­ecules are connected to the chains by O—H⋯O hydrogen bonds.

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A new cadmium–thio­cyanate coordination polymer with an inter­esting structural architecture has been prepared in aqueous solution. The CdII cations are linked by bridging thio­cyanate ligands to form a two-dimensional coordination polymer which lies parallel to the bc plane. Hydrogen-bonding inter­actions are involved in forming the three-dimensional architecture.

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In two new 1,1′:4′,1′′-terphenyl-based diol hosts, steric shielding by terminal aromatic groups prevents mol­ecular association by conventional hydrogen bonding, with hydroxy H atoms involved in intra­molecular O—H⋯π contacts. Solvent-inclusion compounds with di­methyl­formamide favour the formation of strands of O—H⋯O hydrogen-bonded host and guest mol­ecules, and with aceto­nitrile, the formation of a host lattice with a channel-like cavity structure incorporating the solvent mol­ecule.

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In two new CoII/ZnII coordination polymers based on the ligand 5-iodobenzene-1,3-dicarboxyl­ate, that with CoII displays a twofold three-dimensional inter­penetrating α-Po network and that with ZnII exhibits a two-dimensional (4,4) topological network architecture.

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The determination of the structure of the solid-state emissive chalcone (2E)-1-(5-chlorothiophen-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one is relevant because it will play an important role in theoretical calculations to investigate potential two-photon absorption processes and could also be useful for studying the interaction of such compounds with a biological target.

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In two tri­methyl­silyl-substituted 1H-benzimidazole-2(3H)-thiones, noncovalent C—H⋯π inter­actions between the centroid of the benzmidazole system and the SiMe3 groups form helicoidal arrangements in one, and dimerization results in the formation of R_{2}^{2}(8) rings via N—H⋯S inter­actions, along with parallel π–π inter­actions between imidazole and benzene rings, in the second compound.

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The rac and meso forms of two bis(metallacarboranes) share the same overall conformation (Co—C—C′—Co′ ca 136°) and show clear evidence of intra­molecular steric crowding resulting in tilted cyclo­penta­dienyl ligands.

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A zinc(II) metal–organic framework with a novel topology, formed from 4,4′,4′′-nitrilo­tribenzoate and 4,4′-bi­pyridine ligands, possesses three kinds of crystallographically independent ZnII cations, as well as binuclear Zn2(COO)4(bipy)2 paddle-wheel clusters, and can be reduced to a novel topology of a (3,3,6)-connected 3-nodal net, with the Schläfli symbol {5.62}4{52.6}4{58.87}.

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Noncoplanar arrangements of 2,6-di­chloro­phenol and 2,6-di­chloro­aniline with respect to their coformers are favoured, which is in agreement with the frequent occurrence of structural analogues in pharmacology and biology. Additionally, the integration of these compounds into synthon-based networks enhances their ability to form two-dimensional networks, either strongly involved or just as stabilizing compounds.

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A novel one-dimensional polymeric ZnII–di­chloro­benzoate compound with isonicotinamide was synthesized and characterized by spectroscopic, structural and thermal methods. The compound is stabilized by supra­molecular inter­actions, such as π–π and hydrogen-bonding inter­actions.

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In a new cadmium–thio­cyanate coordination polymer, the CdII cations are linked by nicotinic acid N atoms and by bridging thio­cyanate ligands to form a two-dimensional coordination polymer which lies parallel to the bc plane. Hydrogen-bond inter­actions between uncoordinated solvent water mol­ecules and the organic ligands are involved in the formation of the three-dimensional architecture.

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The inter­molecular inter­actions in two new phospho­rothioic tri­amide structures are discussed using Hirshfeld surface analysis.

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In the two-dimensional coordination polymer formed by cadmium and 5-(pyridin-4-yl)isophthalic acid, each ligand bridges three CdII cations and each CdII cation connects to three ligands to form a two-dimensional graphite-like 63 layer structure. Adjacent layers are linked via hydrogen-bonding inter­actions, resulting in a three-dimensional supra­molecular architecture.

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Positional isomerization (para, ortho and meta) has an effective role in the packing and inter­molecular inter­actions of N-chloro­phenyl-2-phthalimido­ethane­sulfonamide derivatives.

Special and virtual issues

Acta Crystallographica Section C is planning special issues on

The Structural Chemistry of Homogeneous and Heterogeneous Catalysts

NMR Crystallography

Full details are available on the special issues page.

The latest virtual issue, featuring Coordination polymers and with an introduction by Len Barbour, was published in July 2014.

What are the 'most read' articles from the recent special issues?

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