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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890

April 2015 issue

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Cover illustration: Xe(SO3F)2 is one of the few examples of a noble gas compound and was synthesized by reacting solid XeF2 with fluorosulfuric acid. Although Xe(SO3F)2 has been known for more than four decades, the molecular and crystal structure remained unclear due to the high thermal instability of this compound. In contrast to earlier assumptions where Cs symmetry was discussed for the molecule in the solid state on the basis of Raman spectroscopic data, the true symmetry is C1, approaching Ci symmetry. This pseudo-inversion symmetry is reflected by the nearly linear O-Xe-O angle of 179.13 (4)° of the two-coordinate xenon atom. See: Malischewski & Seppelt [Acta Cryst. (2015). E71, 363-365].

research communications


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The structure of the water and acetone solvates of bis­[4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine]­manganese(II) bis­(hexa­fluorido­phosphate) were obtained. The compounds crystallize in the monoclinic P21/c and ortho­rhom­bic C2221 space groups, respectively.

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A variety of 5-aryl-1,2,5-thia­diazo­lidin-3-one 1,1-dioxides have been developed as inhibitors of the enzyme protein tyrosine phosphatase 1B (PTP1B). For the title compound, there is the expected twisted relationship between the plane of the 1,2,5-thia­diazo­lidin-3-one 1,1-dioxide ring and the aryl ring to which it is attached, although the dihedral angle of 62.87 (8)° is substanti­ally less than that seen in certain protein–ligand structures.

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The CoII atom in this one-dimensional coordination polymer, with aqua, 4-formyl­benzoate and bridging pyrazine ligands, is located on a twofold rotation axis and has a slightly distorted octa­hedral coordination sphere. Strong intra­molecular O—H⋯O hydrogen bonds link the water mol­ecules to the carboxyl­ate O atoms.

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In the compound [CdL2(H2O)4]·2H2O [L = (1-ammonio-1-phosphono­eth­yl)phospho­nate, C2H8NO6P2], the CdII ion is situated on an inversion centre being coordinated by four aqua mol­ecules in the equatorial plane and two deprotonated phospho­nate O atoms from two L ligands in the axial positions in a distorted octa­hedral geometry. Each ligand L exists in a zwitterionic form, and with an intra­molecular O—H⋯O inter­action forming an S(6) ring motif and two intra­molecular N—H⋯O inter­actions each generating an S(5) ring motif. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds link complex mol­ecules into a three-dimensional network with voids of 38 Å3 filled with ordered lattice water mol­ecules, which are also involved in O—H⋯O hydrogen bonding.

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The Fe—O and Fe—N bond lengths in the title compound, [Fe(pyim)(H2O)4]SO4, where pyim is 2-(pyridin-2-yl)-1H-imidazole, are markedly different than in the related structure of [Fe(dmbpy)(H2O)4]SO4 where dmbpy is 5,5′-dimethyl-2,2′-bi­pyridine.

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In the square planar [Pd(C15H13FNO)2] complex, weak C—H⋯O and π–π inter­actions play important roles in the mol­ecular self-assembly, resulting in the formation of two-dimensional mol­ecular sheets which are further stacked along the b axis.

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The PtII atom adopts a distorted square-planar coordination geometry, being C,N-chelated by a 2′,6′-di­fluoro-2,3′-bi­pyridine ligand and O,O′-chelated by a pentane-2,4-dionato anionic ligand.

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In the title compound, the substituted aromatic C atom lies 0.2030 (16) Å out of the anthryl plane, which forms a dihedral angle 88.30 (3)° with the plane of the transoid methacryloyl moiety.

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The cations and anions of the title compound are organized through π–π stacking between the aromatic rings of the 1,10-phenanthroline and the naphthalene-2,6-carboxyl­ate into a two-dimensional structure. The extensive O—H⋯H hydrogen bonds further connect the cations, anions and lattice water mol­ecules into a three-dimensional network.

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The Xe atom in Xe(SO3F)2 is linearly bonded to two O atoms of the fluoro­sulfate unit.

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The PtII atoms are coordinated in a square-planar fashion. Extensive N—H⋯O bonding between neighbouring mol­ecules results in an hydrogen-bonded framework which has the hxl topology.

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An octa­hedral complex of iridium(III) with a chelating cyclo­octa-1,5-diene ligand, a facial arrangement of three chloride ligands and one aceto­nitrile ligand was isolated serendipitously from an attempted reaction between indene, the chlorido­cyclo­octa­dieneiridium dimer and HCl. Work-up that included use of aceto­nitrile solvent led to the formation of a few crystals of the title compound.

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The FeIII complex located on a threefold rotation axis links with di­methyl­perazine mol­ecules via O—H⋯N hydrogen bonds,forming a three-dimensional supra­molecular framework.

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The title compound crystallizes with the two mol­ecules in the asymmetric unit (Z′ = 2) oriented almost perpendicular to each other [dihedral angle between the central core of each mol­ecule = 77.95 (3)°]. The two mol­ecules exhibit similar conformations with an extended structure and are linked by bifurcated hydrogen bonds into a ribbon along the a-axis direction.

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In the title compound, a CoIII center is coordinated by four N atoms and two O atoms, with the monodentate acetate groups of the ligand oriented trans with respect to each other, whereas the pyridine N atoms are coordinated in a cis configuration.

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The title compound crystallizes with two mol­ecules in the asymmetric unit (Z′ = 2) which are linked into dimers by R_{2}^{2}(20) C—H⋯O inter­actions. These dimers are further linked into sheets in the ab plane by weak inter­molecular C—H⋯N inter­actions.

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A new triple hexa­kis­(molybdate), Ag0.90Al1.06Co2.94(MoO4)5, was synthesized using a solid-state reaction at 845 K. Dimers M2O10 (M = Co/Al) and trimers M3O14 link to the MoO4 tetra­hedra by sharing corners and form a three-dimensional framework with the inter­stitial sites occupied by Ag+ cations.

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Two new chiral cyanide-bridged bimetallic coordination polymers involving the ligand (R)-propane-1,2-di­amine (Lpn) are described. One compound is a zigzag cyanide-bridged chain polymer in which the asymmetric unit consists of two independent chiral {[Cu(Lpn)2][Fe(CN)5(NO)]} units and two water mol­ecules, while the second compound is a two-dimensional cyanide-bridged coordination polymer, in which the asymmetric unit consists of two chiral {[Cu(Lpn)2][Cr(CN)6]} anions bridged by a chiral [Cu(Lpn)2]2+ cation and five water mol­ecules.

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The ruthenocenecarbo­nitrile mol­ecule exhibits mirror symmetry in the solid state.

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In the compound, [Zn(C8H5O3)2(C4H4N2)(H2O)]n, the pyrazine ligands bridge the ZnII cations, forming polymeric chains running parallel to the b-axis direction. Water–carboxyl­ate O—H⋯O hydrogen bonds link adjacent chains into layers parallel to the bc plane. The layers are linked via weak pyrazine–formyl C—H⋯O and form­yl–carboxyl­ate C—H⋯O hydrogen bonds.

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In three simple clozapinium salts, the unprotonated N atom of the piperazine ring has been variously found to have a pyramidal or planar geometry, with the tricyclic component occupying either the axial or the equatorial position. The supra­molecular assembly is one-dimensional in the 3,5-di­nitro­benzoate salt, two-dimensional in the hydrogen maleate salt and three-dimensional in the 2-hy­droxy­benzoate salt.

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In the crystal structures of the racemic para and ortho isomers of 2-(4-nitro­phen­yl)-3-phenyl-2,3-di­hydro-4H-1,3-benzo­thia­zin-4-one, the six-membered thia­zine ring of the benzo­thia­zone parent mol­ecule displays a screw-boat conformation and a near-screw-boat conformation, respectively. In the crystals of both isomers, weak C—H⋯O hydrogen-bonding inter­actions give rise to one-dimensional structures.

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In the title compound, the carbazole ring system is essentially planar (maximum deviation = 0.025 Å). The crystal packing is stabilized by inter­molecular C—H⋯π inter­actions, forming a three-dimensional supra­molecular network.

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In the title compound, C25H20ClN3O, the dihedral between the carbazole and quinoline ring systems is 50.2 (1)°. The crystal packing features C—H⋯π and π—π inter­actions, which generate a three-dimensional network.

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The crystal packing of the title compound features O—H⋯O hydrogen bonds, which form one-dimensional chains of mol­ecules further linked via π–π inter­actions.

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The title compound, has an E conformation about the azomethine double bond and an intra­molecular O—H⋯N hydrogen bond involving the phenolic hydrogen and the azomethine N atom. In the crystal, mol­ecules are linked by bifurcated N—H⋯O hydrogen bonds involving the same acceptor atom, forming chains propagating along [001].

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The complex cation and the two crystallographically different iodide anions, each located on a different glide plane, are well separated in the crystal structure. The V(CN)7 core of the cation has the form of a distorted monocapped trigonal prism. This compound is of inter­est as the first isolable homoleptic seven-coordinate vanadium analog of the 18-electron [V(CO)7]+ monocation.

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organic compounds