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Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

July 2018 issue

Highlighted illustration

Cover illustration: A series of solid-state structures of 2- and 4-formyl­phenyl 4-substituted benzene­sulfonates were investigated. Remarkably, halogen-bonding inter­actions are found to be important to rationalize their solid-state crystal structures. See Andleeb, Khan, Bauzá, Tahir, Simpson, Hameed & Frontera [Acta Cryst. (2018), C74, 816-829].

research papers


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In order to study the correlations between anti­convulsant activity and mol­ecular structure, the crystal structures of three new cinnamamide derivatives with proven anti­convulsant activity were determined by X-ray diffraction. The mol­ecular structures and inter­molecular inter­actions were analyzed in order to propose a pharmacophore model for cinnamamide derivatives.

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The coordination modes, hydrogen-bond patterns, supra­molecular architectures and π–π stacking inter­actions of three new Cd and Zn complexes of cytosine and 5-fluoro­cytosine, namely bis­(cytosine)di­iodido­cadmium(II), bis­(cytosine)dinitratocadmium(II) and (6-amino-5-fluorocytosine)aqua­dibromido­zinc(II)–4-amino-5-fluorocytosine (1/1), are described and analyzed.

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Three new pharmaceutical salts of the anti­oxidant drug emoxypine (EMX) with pharmaceutically acceptable maleic (Mlt), malonic (Mln) and adipic (Adp) acids ([EMX+Mlt], [EMX+Mln] and [EMX+Adp], respectively) were synthesized and their crystal structures characterized using single-crystal X-ray diffraction, solid-state DFT and QTAIMC analysis. The thermochemical and solubility properties of the three EMX salts were studied, with the maximum solubility increase (38 times) being observed for [EMX+Mln].

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A novel multifunctionalized 2-pyridone derivative was synthesized and its crystal structure was analyzed. A detailed optical analysis was performed and time-dependent density functional theory enables a mechanistic view of luminescence.

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A series of solid-state structures of 2- and 4-formyl­phenyl 4-substituted benzene­sulfonates were investigated. Remarkably, halogen-bonding inter­actions are found to be important to rationalize their solid-state crystal structures.

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To examine the role of different functional groups involved in the inter­molecular inter­actions and conformational geometries adopted in xanthenediones, a series of three substituted xanthenedione derivatives have been crystallized and analysed for their inter­molecular inter­actions via Hirshfeld analysis.

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Nine new 2-(4-acetyl-5-aryl-5-methyl-4,5-di­hydro-1,3,4-oxa­diazol-2-yl)-4-iodo­phenyl acetate compounds were synthesized, of which four show promising in vitro cytotoxicity on two human cancer cell lines.

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N—H⋯A (A = S and π) hydrogen bonds were studied in a new amido­thio­phospho­ester structure. The driving force for the N—H⋯π inter­action is the presence of the electron-rich (2,4,6-CH3)3C6H2 segment.

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Two new succinates of 1-hydroxypropan-2-aminium derivatives have been prepared and characterized by single-crystal X-ray diffraction. The N atoms are protonated by proton transfer from succinic acid. The salts display similar supra­molecular architectures, i.e. two-dimensional networks.

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A study of the ternary Rh–Mn–Bi phase diagram revealed the existence of two new ternary bis­muthides, viz. hexa­rhodium penta­manganese octadecabismuthide (Rh6Mn5Bi18) and rhodium manganese tribismuthide (RhMnBi3). Their crystal structures represent new structure types.

Special and virtual issues

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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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