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Journal logoSTRUCTURAL
ISSN: 2053-2296

August 2020 issue

Highlighted illustration

Cover illustration: The synthesis and characterization, crystal structures and DNA docking studies of a tetra­cyclic iso­quinolino­benzo­thia­diazine and its two precursors are reported. See Kolade, Izunobi, Hosten, Olasupo, Ogunlaja & Familoni [Acta Cryst. (2020), C76, 810-820].

research papers

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Two hydrate crystal structures of Colour Index Pigment Red 48 are characterized and the hydration and dehydration behaviour of the pigment are evaluated.

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The relationship between the structures of a group of flavonoid and chromanone derivatives and their cytotoxic activity has been studied. An inverse relationship was found between the percentage contribution of C⋯C contacts to the Hirshfeld surface and cytotoxic activity against the WM-115 cancer line.

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In the crystal structure of a novel stilbene salicylhydrazone derivative, there is a one-dimensional channel for DMSO mol­ecules, which may induce the easy removal of DMSO upon heating, and the crystal shows switchable luminescence colouration by simply removing or re-adding DMSO.

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The structure of the stable double salt MgCO3·MgCl2·7H2O, obtained from concentrated solutions of MgCl2, is characterized by double chains of MgO octahedra and carbonate ions parallel to (100), interconnected by chloride ions.

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Three new cocrystals and two mol­ecular salts of the pharmaceutically relevant 2-chloro-4-nitro­benzoic acid mol­ecule are reported.

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Multiple anion⋯π inter­actions are reliable supra­molecular synthons governing the self-assembly of noncovalent layers of Keggin-type anions in the structures of caffeinium and theobrominium salts.

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A new family of lanthanide(III) coordination polymers based on 3,3′-[(5-carb­oxy-1,3-phenyl­ene)bis­(­oxy)]di­benzoic acid has been structurally characterized and the magnetic properties of the GdIII complex and the luminescence properties of the PrIII, EuIII and GdIII com­plexes were investigated.

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A new langbeinite-type phosphate K2GdHf(PO4)3 with Gd|Hf occupancy disorder was prepared and structurally determined by single-crystal X-ray diffraction. Ce3+ was then introduced into the Gd3+ sites to prepare polycrystalline K2Gd0.99Ce0.01Hf(PO4)3 and its luminescence properties were studied.

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Di­spiro­[indoline-3,3′-pyrrolizine-1′,5′′-thia­zolidine]s containing four contiguous stereogenic centres have been synthesized with high regio- and stereoselectivity in a one-pot procedure using simple starting materials. The various modes of supra­molecular assembly depend upon different combinations of N—H⋯N, N—H⋯O, N—H⋯S=C and C—H⋯S=C hydrogen bonds.

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Solvato­morphism was observed in a fluoro­benzene-sub­stituted di­hydro­pyrimidinone derivative, where two solvato­morphs, namely, those with carbon tetrachloride and ethyl acetate, and one anhydrous form were isolated through extensive crystallization methods. The bulk compound was prepared using a simple and environmentally benign one-pot synthesis. Thermal characteristics of the forms have been analysed in addition to understanding the inter­molecular inter­actions contributing to the crystal packing.

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The features of the crystal structures of seven chiral [1,2,3]tri­az­olo[5,1-b][1,3,4]thia­dia­zines are presented and the conformations of the mol­ecules in the crystals are discussed. Some data are presented on the cellular activity of the com­pounds.

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The synthesis and characterization, crystal structures and DNA docking studies of a tetra­cyclic iso­quinolino­benzo­thia­diazine and its two precursors are reported.

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The one-dimensional structure of BATZM·Cl2 can be described as a rhombic helix. The com­pound crystallizes in the monoclinic space group C2/c with Z = 4. Electrostatic attraction and extensive hydrogen bonding yields a dense three-dimensional structure.

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The synthesis and structures of three related com­pounds are reported, namely, a diorgano selenide and its palladium(II) and mercury(II) com­plexes. In the com­plexes, the ligand is coordinated to the Pd atom via N and arene C atoms, while it is coordinated to the Hg atom via Se and N atoms.

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The dipharmacophore com­pound 3-cyclo­propyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxa­diazole has been synthesized and two concomitant polymorphs have been thoroughly studied. The application of classical and periodic quantum chemical calculations identified a difference in the crystal packing, which is classified as an isotropic packing of dimers in the triclinic form and as a columnar packing of mol­ecules in the ortho­rhom­bic form.

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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