issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

September 2016 issue

Highlighted illustration

Cover illustration: In a crystal structure based on [infinity]1[Ca2(H2cpp)2(H2O)2] ladders [H2cpp is (4,5-di­cyano-1,2-phenyl­ene)bis­(phospho­nate)], the ladders close pack in the solid state with water mol­ecules mediated by various hydrogen-bonding inter­actions. See Venkatramaiah, Mendes, Silva, Tomé & Almeida Paz [Acta Cryst. (2016), C72, 685-691].

research papers


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Two d10 coordination polymers of ZnII and CdII based on 2,2-di­methyl­succinate and flexible 1,4-bis­(imidazol-1-ylmeth­yl)benzene as coligands have been synthesized under hydro­thermal conditions. Both complexes display a two-dimensional layered architecture and were characterized by elemental analysis, X-ray crystallography, IR spectroscopy and thermogravimetric analysis. They also display a strong blue photoluminescence in the solid state at room temperature.

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In each of three 2-aryl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-di­hydro-1H-pyrazol-4-yl)acetamides, two different mol­ecular conformations co-exist in the crystalline state. In each, N—H⋯O hydrogen bonds give rise to cyclic R_{2}^{2}(10) dimers which are further linked by C—H⋯O hydrogen bonds to give a supra­molecular assembly in zero, one or two dimensions.

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The reactions between aryl­hydrazinium chlorides and 2-chloro­quinoline-3-carbaldehydes under different conditions can give rise to a hydrazone, a 4,9-di­hydro-1H-pyrazolo­[3,4-b]quinoline or a 1H-pyrazolo­[3,4-b]quinoline. Various combinations of N—H⋯N and C—H⋯π(arene) hydrogen bonds lead to supra­molecular assemblies in the form of rings, chains or sheets.

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The syntheses of three bis­(benzo[b]thio­phen-2-yl)methane derivatives are described and their crystal structures discussed comparatively. The conformations of the title compounds are compared with respective bioisoteres and active pharmaceutical ingredients (APIs) containing the dithiophen-2-yl­methane scaffold.

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In a crystal structure based on 1[Ca2(H2cpp)2(H2O)2] ladders [H2cpp is (4,5-di­cyano-1,2-phenyl­ene)bis­(phospho­nate)], the ladders close pack in the solid state with water mol­ecules mediated by various hydrogen-bonding inter­actions.

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1,3-Bis(3-fluoro­phen­yl)urea crystallizes in two conformational polymorphs. The urea molecules assemble into one-dimensional hydrogen-bonded chains, which adopt anti­parallel and parallel alignments in the two forms.

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A linear tetra­nuclear unit, in which the two CoII ions at the ends are six-coordinated and the two inner CoII ions are five-coordinated in a distorted triangular bipyramidal configuration, is the first example of (E)-2-[(2-hy­droxy­benzyl­idene)amino]­phenol in coordination chemistry co-operating with 1,10-phenanthroline under solvothermal conditions. Magnetic studies show the presence of ferromagnetic CoII⋯CoII exchange inter­actions in the tetra­nuclear unit.

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3,14-Dimethyl-2,6,13,17-tetra­aza­penta­cyclo­[16.4.0.12,17.16,13.07,12]tetra­cosane was synthesized and characterized by elemental, spectroscopic and single-crystal X-ray diffraction analyses. The crystal structure is stabilized by intra­molecular C—H⋯N hydrogen bonds. NMR and IR spectroscopic properties support the methyl­ene-bridged macrocyclic structure.

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The triply hydrogen-bonded ADA/DAD synthon (D = donor and A = acceptor) was successfully formed in the crystal structure of 2,4-di­amino­pyrimidinium barbiturate and in two solvates of 2,4-di­amino­pyrimidinium 2-thio­barbiturate. An additional crystallization study of pure 2,4-di­amino­pyrimidine revealed R_{2}^{2}(8) N—H⋯N hydrogen-bond motifs to be the preferred inter­action in the structures of one ansolvate and three solvates.

Special and virtual issues

Acta Crystallographica Section C is planning special issues on

NMR Crystallography

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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