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December 2021 issue
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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.
CCDC reference: 2071327
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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.
CCDC reference: 2051249
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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.
CCDC reference: 2119916
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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.
CCDC reference: 2120639
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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.
CCDC reference: 2122541
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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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The description of the topology of the title compound in Zhang & Wang [Acta Cryst. (2021), C77, 691–697] is corrected.