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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

August 2014 issue

Highlighted illustration

Cover illustration: {[Fe(H2O)2{Ag(CN)2}2](2,2'-bpe)2}n forms a two-dimensional grid-type structure with the organic guest mol­ecules occupying the space between adjacent grid layers. The grid layers are held together by hydrogen bonds between the organic guest mol­ecules and the host framework and gives rise to a three-dimensional supra­molecular architecture. See: Othong, Wannarit, Pakawatchai & Youngme [Acta Cryst. (2014). E70, 107-110].

editorial


Acta Cryst. (2014). E70, 43
doi: 10.1107/S1600536814014457

research communications


Acta Cryst. (2014). E70, 44-47
doi: 10.1107/S1600536814009556
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The structure of a hydroacridine with significant pharmaceutical potential is reported. The acridinone ring system is in the shape of a shallow V with the majority of the ring system substituents on its convex surface; a plethora of classical and non-classical hydrogen bonds stack the molecules into interconnected columns.

Acta Cryst. (2014). E70, 48-50
doi: 10.1107/S1600536814009532
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The crystal structure of [NiHg(SCN)4(CH3OH)2]n is made up of HgS4 tetra­hedra and trans-NiN4O2 octa­hedra, linked together by thio­cyanato bridges. The methanol mol­ecules point to the cavities of the resulting framework.

Acta Cryst. (2014). E70, 51-53
doi: 10.1107/S1600536814011337
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The title molecule crystallizes with two half-molecules in the asymmetric unit, the whole molecules being generated by twofold rotation symmetry. In the crystal, there are two interpenetrating three-dimensional networks involving the individual molecules that are linked by C—H⋯Br and Br⋯Br interactions.

Acta Cryst. (2014). E70, 54-57
doi: 10.1107/S1600536814011799
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The crystal structures of the 1.5- and 10-hydrates of Na2SeO4 are isotypic with those of the corresponding chromates.

Acta Cryst. (2014). E70, 58-61
doi: 10.1107/S1600536814012227
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Molecules in both polymorphs of the title compound display deviations from planarity owing to crystal packing effects.

Acta Cryst. (2014). E70, 62-64
doi: 10.1107/S1600536814009349
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The title symmetrical steroid oxalate diester is substantially twisted about the central O2C—CO2 bond, leading to an overall shallow V-shape for the molecule, which may correlate with its reactivity under flash vacuum pyrolysis. C—H⋯O hydrogen bonds help to establish the packing.

Acta Cryst. (2014). E70, 65-67
doi: 10.1107/S1600536814010964
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The central ternary N atoms in the isotypic crystal structures of the substituted anilines show no sign of pyramidalization.

Acta Cryst. (2014). E70, 68-71
doi: 10.1107/S1600536814009684
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Despite their different compositions and space groups, the irregular KF8 coordination polyhedra of the potassium cations in these structures are almost identical. The layer stacking sequences are AAA… in the p-methoxy compound and ABAB… in the p-fluoro compound.

Acta Cryst. (2014). E70, 72-76
doi: 10.1107/S1600536814014056
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The title compounds are iron(II) dihalide complexes of the bulky arylimidazole ligand 1-(2,6-diisopropylphenyl)-1H-imidazole. The FeCl2 and FeBr2 complexes are isotypic, while the third compound, also an FeBr2 complex, crystallizes as a diethyl ether disolvate.

Acta Cryst. (2014). E70, 77-79
doi: 10.1107/S1600536814014251
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The mol­ecular structure of the title compound is centrosymmetric. The cyclo­hexa-2,5-diene moiety is exactly planar and has a bond-length distribution characteristic for one pair of double bonds and two pairs of single bonds.

Acta Cryst. (2014). E70, 80-83
doi: 10.1107/S1600536814014779
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[Cd(C15H18N2)2(H2O)2](ClO4)2·C15H18N2·C2H6O, is a layered coordination polymer containing highly squashed 44 nets. The polymeric sheets alternate with layers of counter ions, free ligands and solvent molecules.

Acta Cryst. (2014). E70, 84-86
doi: 10.1107/S1600536814014445
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The planar pyrazolidine ring occurs in the betaine form with a Z conformation of the exocyclic C=N bond. In the crystal, C—H⋯O and C—H⋯π inter­actions result in the formation of ribbons of mol­ecules along [1\overline{1}0].

Acta Cryst. (2014). E70, 87-90
doi: 10.1107/S1600536814015372
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The SnIV atom in the title compound shows a slightly distorted penta­gonal–bipyramidal SnC2O5 coordination with the C atoms of the aliphatic chain in the axial positions.

Acta Cryst. (2014). E70, 91-93
doi: 10.1107/S160053681401544X
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In the mononuclear complex title salt, all of the non-H atoms of the cation lie on a mirror plane, as do the N and one O atom of the nitrate anion, such that the planes of the cation and anion are mutually orthogonal. In the crystal, layers parallel to (010) are generated by N—H⋯O hydrogen bonds, supported by short S⋯O [3.196 (4) and 3.038 (3) Å] and S⋯S contacts [3.4392 (13) Å].

Acta Cryst. (2014). E70, 94-97
doi: 10.1107/S1600536814015426
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The title compounds, (I) and (II), are di­spiro-indole-pyrrolidine-benzo­thio­phene derivatives, with (II) having a chlorine substituent on the oxo­indole unit. As a result, the conformation of the two mol­ecules differs in the angle of inclination of the indole moiety with respect to the benzo­thio­phene ring system, with a dihedral angle of 71.59 (5) in (I) and 82.27 (7)° in (II).

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The crystal structure of Cs2[Th(NO3)6] can be derived from a dense packing of idealized CsO12 and ThO12 units. The CsO12 units form a distorted hcp arrangement with half of the octa­hedral sites occupied by ThO12 units.

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Crystal structure of a NiII–thio­semicarbazone complex showing an unusual cis arrangement of the N,S-donor ligands and anagostic C—H⋯Ni inter­actions.

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The NiII atom in the title compound shows a square-planar NiN2O2 coordination with the imine N and phenolate O atoms of the two Schiff base ligands. C—H⋯O and C—H⋯π interactions result in the formation of sheets of molecules parallel to the ac plane.

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{[Fe(H2O)2{Ag(CN)2}2](2,2′-bpe)2}n forms a two-dimensional grid-type structure with the organic guest mol­ecules occupying the space between adjacent grid layers. The grid layers are held together by hydrogen bonds between the organic guest mol­ecules and the host framework and gives rise to a three-dimensional supra­molecular architecture.

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1-Carbamoylguanidinium bis­(2,4,6-tri­nitro­phen­yl)amide (= guanylurea dipicryl­amide) builds up an array of mutually linked guanylurea cations and dipicryl­amide anions. The crystal packing is dominated by an extensive network of N—H⋯O hydrogen bonds, resulting in a high density of 1.795 Mg m−3 which makes the title compound a potential secondary explosive.

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In the ion-pair complex, bis­[1-(naphthalen-1-ylmeth­yl)pyridinium] bis­(2,2-di­cyano­ethene-1,1-di­thiol­ate-κ2S,S′)nickelate(II), C—H⋯N and C—H⋯Ni hydrogen bonds as well as π–π inter­actions between the ions result in the formation of a three-dimensional network.

inorganic compounds



Acta Cryst. (2014). E70, i43
doi: 10.1107/S1600536814015566

metal-organic compounds














organic compounds










Acta Cryst. (2014). E70, o841
doi: 10.1107/S1600536814015049
















Acta Cryst. (2014). E70, o860
doi: 10.1107/S1600536814015153