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Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296

April 2017 issue

Early view articles

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research papers


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The ability of apremilast (AP) to form solvates has been investigated and three solvatomorphs of AP, namely, with ethyl acetate, toluene and di­chloro­methane, were obtained. The three AP solvatomorphs were characterized and dissolution analyses were performed to study the dissolution rates of different AP solvatomorph tablets in vitro and to make comparisons with commercial apremilast tablets.

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Two new isostructural mercury(II) halide complexes based on 1-[(benzotriazol-1-yl)meth­yl]-1H-1,3-imidazole (bmi) have been prepared and structurally characterized. Both complexes exhibit a mononuclear structure, in which the bmi ligands coordinate to HgII ions in monodentate modes.

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The crystal structures of 5,6-bis­(9H-carbazol-9-yl)benzo[c][1,2,5]thia­diazole (DCBT) and its hydrate were investigated using single-crystal X-ray analysis. The analysis of the crystal packing of DCBT revealed that the experimental triclinic structure could be described as a distortion from a hypothetical higher-symmetry monoclinic structure. The quantum chemical calculations of two possible monoclinic structures showed that the proposed structures are higher in energy by 5.4 and 10.1 kcal mol−1.

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The structure of the hydro­chloride salt of p-arsanilic acid is reported, (I), together with the products from its reaction with copper(II) sulfate, (II), copper(II) chloride, (III), or cadmium chloride, (IV), all featuring the unusual protonated 4-arsonoanilinium species, viz. in (II), along with the [Cu(H2O)6]2+ species in a 'double' salt, and as counter-cation to [CuCl4]2− or [CdCl4]2− in the coordination polymeric sheet structures of isotypic (III) and (IV), respectively.

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Crystal structures of the solid solutions Na2CoP1.60As0.40O7 and Na2CoP1.07As0.93O7 have been determined and investigated by BVS (bond valence sum) and CHARDI (charge distribution) validation tools. The BVS model also allowed simulation of the sodium conduction pathways in the studied structural type.

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The crystal structure of the trigonal ternary stannide Li9Al4Sn5 has been determined by the single-crystal method. Li9Al4Sn5 is a new ordered superstructure of the Li13Sn5 type and represents the stucture family in which the parent structure belongs to the W-type.

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The halide anions in 4-[(2,2,3,3-tetra­fluoro­prop­oxy)meth­yl]pyridinium chloride and bromide accept four hydrogen bonds from N—H, ortho-C—H and CF2—H groups. Two cations and two anions form a centrosymmetric dimeric building block, utilizing complimentary N—H⋯X⋯H—Csp3 connections. These dimers are further crosslinked, utilizing another complimentary Csp2—H⋯X⋯H—Csp2 connection.

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The synthesis, gelation and aggregation properties of methyl 8-[4-(1H-benzimidazol-2-yl)phen­oxy]octa­noate and the crystal structure of its octan-1-ol solvate are reported. A four-mol­ecule hydrogen-bonded motif consisting of two benzimidazole mol­ecules and two octan-1-ol mol­ecules is observed in the solid state.

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Two photoactive MnI–carbonyl complexes have been synthesized and their crystal structures are reported. These complexes can be utilized as trackable CO-releasing mol­ecules within biological milieu.

book reviews


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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