issue contents

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

August 2018 issue

Highlighted illustration

Cover illustration: Two new CuII complexes based on 3,4,5-trimethyl-1H-pyrazole ligands and [MOF5]2- (M = Nb and Ta) inorganic bridges feature one-dimensional chains, which exhibit strict orientational order of the polar anions and deliver a protocol for the rational construction of polar infinite structures. See Sharko, Erhart, Krautscheid & Domasevitch [Acta Cryst. (2018), C74, 929-935].

research papers


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Semisynthesis, rearrangment, absolute configuration and changes in the ring puckers of a novel 19,20-δ-lactone (9βH)-pimarane started from the natural product annona­lide, which has also been redetermined here.

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Two polymorphic structures of the di­acetyl­ene 6-[(phenyl­carbamo­yl)­oxy]hexa-2,4-diyn-1-yl isonicotinate are reported. One polymorph was inert to polymerization, but the other showed polymerization reactivity by thermal annealing or photoirradiation.

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An unusual heterobimetallic bis­(tri­phenyl­phosphane)(NO2)AgI–CoIII(di­methyl­glyoximate)(NO2) coordination compound with both bridging and terminal –NO2 (nitro) coordination modes has been isolated from the reaction of [CoCl(DMGH)2(PPh3)] (DMGH is di­methyl­glyoximate) with excess AgNO2 and was characterized by X-ray crystallography, different spectroscopic techniques and electrospray ionization mass spectrometery (ESI–MS).

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The hydro­thermal reaction between Cd(NO3)2·4H2O, benzene-1,2,4,5-tetra­carb­oxy­lic acid and 1,4-bis­(pyridin-4-yl)buta-1,3-diene produced a three-dimensional anionic coordination network with tubular channels. The cavities of the anionic network are occupied by protonated pyridinium cations. Inter­estingly, the organic cations connect the anionic coordination network through hydrogen bonds to form a complicated supra­molecular framework with photoluminescence properties.

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Two coordination polymers with different structures have been prepared under hydro­thermal conditions, based on mixtures of Cd(NO3)2·4H2O and trans-1-(2-amino­pyridin-3-yl)-2-(pyridin-4-yl)ethene with two similar di­carb­oxy­lic acids (5-methyl­isophthalic acid or 5-hy­droxy­isophthalic acid). Both of these compounds exhibit good thermal stability and photoluminescence properties.

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A new luminescent NiII complex has been synthesized and characterized by elemental analysis, UV–Vis, FT–IR, 1H NMR, 13C NMR and photoluminescence spectroscopies, LC–MS/MS and single-crystal X-ray diffraction.

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The supra­molecular architectures of the crystal structures of two phospho­rylated aza­heterocycles were characterized using X-ray diffraction analysis. One of them is dominated by two infinite chains composed of unique symmetry-independent mol­ecules linked by distinctively different synthons, while the second structure adopts a ladder packing topology.

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The crystal structures of filled Ti2Ni-type Ti3Zn3O1.03 and Ti3Zn3O1.27 were analysed by X-ray diffraction for single crystals prepared using a Bi flux. A new inter­stitial O-atom site and split sites of the Ti and Zn atoms were found for Ti3Zn3O1.27.

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Pure γ polymorphs of 3-chloro- and 3-bromo-trans-cinnamic acids are isostructural and undergo irreversible thermal transformation to different β polymorphs at similar temperatures. A transformation also occurs for the γ form of their solid solution, with a molar ratio close to 1:1, producing a form similar to pure β-3-chloro-trans-cinnamic acid.

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Two new CuII complexes based on 3,4,5-trimethyl-1H-pyrazole ligands and [MOF5]2− (M = Nb and Ta) inorganic bridges feature one-dimensional chains, which exhibit strict orientational order of the polar anions and deliver a protocol for the rational construction of polar infinite structures.

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The first Mn member of the struvite morphotropic series, CsMn(H2O)6(PO4), has been synthesized hydro­thermally and its hexa­gonal crystal structure was determined. It is shown that the size of the A+ ionic radius within the morphotropic series AM(H2O)6(XO4) affects the type of crystal structure and the values of the unit-cell parameters. Structural relationships with Na(H2O)Mg(H2O)6(PO4) and the mineral hazenite, KNa(H2O)2Mg2(H2O)12(PO4)2, are discussed.

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Gefitinib (or Iressa) exists in two polymorphic forms, a stable form I and a metastable form II. A methanol solvated form was synthesized and was investigated theoretically and experimentally.

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Two one-dimensional CdII coordination polymers with 5-amino-2,4,6-tri­bromo­isophthalic acid (H2ATBIP) and flexible N-donor bipyridyl ligands have been synthesized and characterized.

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A new Co4L6 tetra­hedral cage constructed from a substituted pyrazol­yl–pyridine ligand has been synthesized and structurally characterized. The [Co4L6\subsetClO4]7+ cage exhibits outward-facing pockets at each corner of the tetra­hedron.

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A two-dimensional CdII coordination polymer was assembled from 1-(4-carboxyl­benz­yl)-2-propyl-1H-imidazole-4,5-di­carb­oxy­lic acid and 1-(4-carb­oxy­benz­yl)-2-propyl-1H-imidazole-4-carb­oxy­lic acid ligands and is described as a 3,6-coordinated complex with a (43)2(46.66.83) topology network. The solid-state photoluminescence properties of the new complex were investigated.

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The reaction of 1,4-bis­(quinolin-2-ylsulfan­yl)but-2-yne with iodine leads to two different single crystals, namely the dimonoiodide hemihydrate and the monoiodide triiodide of the 1,2-di­hydro-1,1′-bi[thia­zolo[3,2-a]quinoline]-10a,10a′-diium dication. Inter­action of the iodide anions with the dication takes place through chalcogen bonds.

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A three-dimensional zinc(II) coordination polymer was synthesized using 5-sulfo­benzene-1,3-di­carboxyl­ate (5-sulfoisophthalate) monosodium salt, KOH and Zn2+. The topological analyses revealed that K—O inter­actions form a two-dimensional network and the coordination of the Zn2+ ions gives rise to a three-dimensional network.

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The crystal structures of furan-2,5-di­carb­oxy­lic acid (FDCA) di­methyl­formamide disolvate and dimethyl sulfoxide monosolvate were determined using single-crystal X-ray diffraction and exhibit hydrogen bonds between the FDCA and solvent molecules. A two-dimensional network is formed in the DMSO solvate.

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.

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