issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

November 2019 issue

Highlighted illustration

Cover illustration: A new mesogenic com­pound containing the fluorene moiety exhibits enanti­otropic nematic liquid crystalline behaviour with melting at 125 °C and isotropization at 175 °C. The crystallographically independent unit contains two mol­ecules oriented face-to-edge with respect to each other. See Gupta, Choudhury, Dmochowska, Kula, Borbone & Centore [Acta Cryst. (2019), C75, 1459-1464].

research papers


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The light-atom com­pound (2S)-methyl (Z)-5-(2-tert-but­oxy-1-cyano-2-oxo­ethyl­idene)pyrrolidine-2-carboxyl­ate is an enanti­opure coordination partner for cations. Despite its only minor resonant scattering, the absolute structure was determined by a combination of diffraction, CD spectroscopy and theoretical calculations.

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Multiple noncovalent inter­actions can play a decisive role in both the mol­ecular and crystal structure of 1,5-bis­([1,1′-biphen­yl]-4-yl)-5-hy­droxy-3-methyl­heptane-1,6-dione.

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A new mesogenic com­pound containing the fluorene moiety exhibits enanti­otropic nematic liquid crystalline behaviour with melting at 125 °C and isotropization at 175 °C. The crystallographically independent unit contains two mol­ecules oriented face-to-edge with respect to each other.

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The crystal structure and crystallization conditions of a novel form of metacetamol, the hemihydrate, are reported. Its crystal packing was analysed and compared with the packings of the two previously known polymorphs of metacetamol.

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A new crystal form of PhSeCl3 is reported. The primary structural feature is selenium–chlorine bridging inter­actions, forming noncovalent dimeric units.

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A new heterobimetallic cyanide-bridged FeIII–MnII coordination polymer has been rationally designed and presents a cyanide-bridged cationic linear one-dimensional chain structure, with ClO4 as the charge-balancing anion, which is further expanded into a two-dimensional supra­molecular structure by inter­molecular π–π inter­actions. Both the experimental investigation and the theoretical calculations revealed an anti­ferromagnetic coupling between the cyanide-bridged FeIII and MnII centres.

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The structure of the low-temperature triclinic variety α-BaZr2F10 is described and com­pared to the high-temperature β-variety directly recrystallizing from barium fluorido­zirconate glasses.

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The first ternary BaF2–Ln(Y)F3–ZrF4 phases crystallizing near the com­position range of fluoride glasses, namely Ba4YZr3F23 and isotypic Ba4LnZr3F23 (Ln = Yb, Er and Nd), have been synthesized and their new noncentrosymmetric structure type described.

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This work reports a new potassium dysprosium polyborate, K3DyB6O12, that can be described as a three-dimensional framework com­posed of bicyclic [B5O10]5− groups and Dy3+ and K+ ions. Moreover, a series of K3Gd1–xDyxB6O12 phosphors was prepared and the photoluminescence properties were investigated.

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The powder X-ray diffraction technique was used to determine the crystal structures of two new organic–inorganic hybrid materials forming three-dimensional networks composed of alternating organic and inorganic layers. Thermal stability tests of the materials indicated that one is stable up to 537 K and the other is stable up to 437 K.

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The crystal structures presented herein consist of two positively charged FeIII–HMC com­plexes, each of which was prepared from the pure meso- or rac-HMC ligand and which adopt trans or cis configurations, respectively.

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The title com­pound contains various types of bridging ligands which generate a three-dimensional structure. A photoluminescence study shows a blue photoluminescence originating from the CuI centre to the unoccupied π* orbital of the cyanide ligand.

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The structures of two new coordination polymers, ACr(C2O4)2(H2O)4, with A = Li (C2/m) and Na (P\overline{1}), consist of alkali metal and Cr octa­hedra μ2-bridged by oxalate ligands. The resulting one-dimensional chains are connected together through hydrogen-bond motifs, leading to two-dimensional frameworks. However, they differ in the crystal packing, the hydrogen-bond networks and the oxygen disorder in the former polymer.

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The crystal structure of several type-I clathrates with formulae K8AlxSn46–x and Rb8AlxSn46–x (x ≃ 6.4–9.7) have been accurately established from single-crystal X-ray diffraction data. Structural analysis shows the substitutional disorder on all three Sn sites and the presence of fully occupied guest atoms in both clathrate cages.

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Two derivatives of 3-(1,3,4-oxa­diazol-2-yl)-2H-chromen-2-one have been synthesized on the assumption of their potential anti­cancer activities and their poly­morphic modifications have been thoroughly studied. The method used for analysis, which was based on a com­parison of the pairwise inter­action energies between mol­ecules, allowed the differences in the crystal packing and the roles of different types of inter­molecular inter­actions to be elucidated.

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Three organic two-photon-absorbing cyclo­alkanone chromophores were obtained by a reaction between 4-(di­ethyl­amino)­benzaldehyde and the corresponding cyclo­alkanone. Mol­ecules of this series have three main fragments, i.e. a central acceptor (A) and two terminal donors (D1 and D2), and represent examples of the D1–π–A–π–D2 mol­ecular design.

Special and virtual issues

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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