issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

December 2021 issue

Highlighted illustration

Cover illustration: The crystal structure of the stable form of vitamin B2 or riboflavin was solved using high-resolution powder X-ray diffraction. The starting structural model was generated using a Monte Carlo simulated annealing method. The positions of the H atoms belonging to hy­droxy groups were estimated from com­putational energy minimizations. See Guerain, Affouard, Henaff, Dejoie, Danède, Siepman, Siepman & Willart [Acta Cryst. (2021), C77, 800–806].

letters to the editor


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The coordination polyhedra of bis­muth(III) with/without a stereoactive electron lone pair in its coordination compounds (coordination number ≥ 8) are tabulated for a range of crystal structures published after the year 2000; the polyhedra and the presence or absence of the lone pair are expressed as polyhedral symbols. Bis­muth(III) shows a preference for stereoactivity; dodeca­hedral, tricapped trigonal prismatic and square anti­prismatic geometries constitute almost all the stereoactive cases. Between the two nine-coordinated cases, the Ψ-tricapped trigonal prism predominates over the Ψ-monocapped square anti­prism.

research papers


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A series of new N-tri­phenyl­acetyl­tyrosine solvates was obtained by recrystallization and they were structurally characterized. The channels in the crystal structures are filled with solvent mol­ecules, the positions of which are stabilized by weak inter­actions. After removing the solvent mol­ecules, the solvate crystals transform into the solvent-free forms of the amide.

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The mol­ecular assembly of a pyra­zolo­[1,5-c]py­rimi­dine derivative in the crystal and on the surface of graphite was analyzed using X-ray diffraction and atomic force microscopy (AFM), respectively. Arene inter­actions were found to be prevalent in the mol­ecular packing in the crystals.

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Δ-[Co(L-Ser-κ2N,O)2]n is a chiral helical one-dimensional coordination polymer in which hydro­gen bonding links the chains into a two-dimensional network.

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A two-dimensional (2D) sheet-like cadmium(II) coordination polymer, with a (3,3)-connected hcb net, was assembled from (S)-2-(benzyl­amino)­succinic acid. All folding sheets are arranged in an inter­digitated fashion and aggregate into zipper-like arrays through inter­layer π–π inter­actions. The large and nonpolar side chain may play an important role in the formation and aggregation of the 2D sheet. The thermal stability and photoluminescence properties of the coordination polymer were investigated.

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The synthesis and structures of two polymorphs, A and B, of Co(NCS)2(abpt)2 and Ni(NCS)2(abpt)2 are reported. The polymorph structures of A with CoII or NiII were found to be isostructural, as were the corresponding pair of polymorph B structures with the different metals.

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A novel three-dimensional coordination polymer was obtained by the self-assembly of Mn2+ and the ditopic ligand 2,5-bis­(1H-1,2,4-triazol-1-yl)benzoic acid, and the mag­netic and photoluminescence properties of this com­pound were explored. Significant anti­ferromag­netic exchange between Mn2+ ions is observed within {Mn2Cl2(COO)2} subunits. The new polymer also shows high selectivity and sensitivity for detecting Cr2O72− anions in aqueous solution.

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The inter­molecular inter­actions and salt formation of acridine with 4-amino­salicylic acid, 5-chloro­salicylic acid and hippuric acid were investigated. Acridine is involved in strong inter­molecular inter­actions with the hy­droxy group of the three acids enabling it to form supra­molecular assemblies.

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The crystal structure of the stable form of vitamin B2 or riboflavin was solved using high-resolution powder X-ray diffraction. The starting structural model was generated using a Monte Carlo simulated annealing method. The positions of the H atoms belonging to hy­droxy groups were estimated from com­putational energy minimizations.

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The structural features and electronic properties of two related donor–acceptor pyridine-based BF2 com­plexes, containing a di­methyl­amino group and differing in the length of the charge-transfer path, have been studied by single-crystal X-ray diffraction analysis, supported by com­putational investigations.

addenda and errata


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