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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


































Research communications

The first papers in this new format were published in July 2014. Research communications are longer papers with new text sections designed to help authors bring out the science behind their structure determinations. Figures are included in the published paper and, for the first time in Acta E, individual reports are not limited to single structure determinations. The Research communications format will make Acta E the natural home for structure determinations with interesting science to report.

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