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December 2014 issue
Cover illustration: The title bis-(carborane), comprising two {1,2-closo-C2B10H11} cages, is located about a centre of inversion with the central bond length being 1.5339 (11) Å. A careful analysis of the data has enabled the establishment of an unambiguous model for disorder in the molecule. See: Man, Rosair, & Welch [Acta Cryst. (2014). E70, 462-465].
research communications
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In three potentially anticonvulsant compounds, of which two are isoindoline derivatives and one an isoquinoline derivative, the central moiety is planar. In the crystals of all three compounds, there are C—H⋯O hydrogen bonds present linking the molecules into two-dimensional slabs for the isoindoline derivatives, and into a three-dimensional framework for the isoquinoline derivative.
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In the title compound, the two {1,2-closo-C2B10H11} cages are linked across a centre of inversion with a C—C distance of 1.5339 (11) Å. By careful analysis of the structure, it is established that the non-linking cage C atom is equally disordered over cage vertices 2 and 3.
CCDC reference: 1031659
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The hydroxy group in this carbazole derivative is involved in an intramolecular O—H⋯O hydrogen bond, which generates an S(6) graph-set motif. In the crystal, pairs of C—H⋯Cl hydrogen bonds link molecules into inversion dimers with an R22(26) motif. Weak C—H⋯O interactions further link these dimers into ribbons propagating in [100].
CCDC reference: 1032055
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The crystal structure of this ternary silicide belongs to the U2Mn3Si5 structure type. The coordination polyhedra of the Gd atoms have 21 vertices, while those of the Re atoms are cubooctahedra and 13-vertex polyhedra, and the Si atoms are arranged as tricapped trigonal prisms, bicapped square antiprisms, or 11-vertex polyhedra.
CCDC reference: 1032373
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In the crystal structure of bis(propane-1,3-diammonium) hexafluoridoaluminate diaquatetrafluoridoaluminate tetrahydrate, two different environments of the Al3+ cations are observed, namely, AlF6 and AlF4(H2O)2.
CCDC reference: 1032262
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The title compound was synthesized by the redox reaction of copper(II) perchlorate hexahydrate and metallic tin in perchloric acid. Both the pyramidal [Sn(H2O)3]2+ cations and tetrahedral perchlorate anions lie on crystallographic threefold axes.
CCDC reference: 1032662
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Since the discovery of perchlorate salts on Mars and the known occurrence of ferric salts in the regolith, there is a distinct possibility that the title compound could form on the surface of Mars. [Fe(H2O)6](ClO4)3·3H2O was crystallized from aqueous solutions at low temperatures according to the solid–liquid phase diagram.
CCDC reference: 1032663
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The title compound was crystallized according to the solid–liquid phase diagram at lower temperatures. It is built-up of SnCl4(H2O)2 octahedral units and lattice water molecules. An intricate three-dimensional network of O—H⋯O and O—H⋯Cl hydrogen bonds between the complex molecules and the lattice water molecules is formed in the crystal structure.
CCDC reference: 1032661
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The structure of a centrosymmetric trinuclear zinc(II) complex with the formula [Zn{ZnL3}2], where L is 4-tert-butoxy-4-oxobut-2-en-2-olate, is presented.
CCDC reference: 997496
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In the title salt, the Pd2+ cation is located on an inversion centre and has a square-planar coordination sphere defined by four N atoms of four neutral pyrazole ligands. The two chloride anions are not coordinating to Pd2+ but are connected to the complex cations through N—H⋯Cl hydrogen bonds. C—H⋯Cl hydrogen bonds lead to a three-dimensional linkage of cations and anions.
CCDC reference: 1033485
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The crystal structures of the tetra- and hexahydrate phases of Ca(ClO4)2 consist of Ca2+ ions in distorted square-antiprismatic environments and of perchlorate tetrahedra. O—H⋯O hydrogen bonds between water molecules and ClO4 units lead to the formation of a three-dimensional network in the structures.
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The title compound consists of a macrocyclic ring with an MnIII—N—O repeat unit that occurs four times, producing a molecule with an overall square structure. Two Na+ ions are captured above and below the central cavity of the molecule.
CCDC reference: 1033085
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The title compound has an E conformation about the azobenzene linkage and the benzene rings are almost coplanar to one another [dihedral angle = 1.36 (7)°]. In the crystal, a combination of O—H⋯O and C—H⋯O hydrogen bonds and C—H⋯π interactions leads to the formation of slabs parallel to (001).
CCDC reference: 1031374
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A novel two-dimensional→ three-dimensional CuII coordination polymer based on the 1,1′-(1,4-butane-1,4-diyl)bis(1H-imidazole) ligand, containing one crystallographically unique CuII centre has been synthesized under hydrothermal conditions.
CCDC reference: 1033141
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The reaction of AgI atom with the unsymmetrical ligand N-(pyridin-4-ylmethyl)pyridine-3-amine afforded a helical chain. The AgI atom adopts a slightly distorted linear coordination geometry. The symmetry-related right- and left-handed helical chains are alternately arranged via Ag⋯Ag interactions and π–π stacking interactions, resulting in the formation of a two-dimensional supramolecular network.
CCDC reference: 1033712
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The crystal structures of the tri-, tetra- and nonahydrate phases of Sr(ClO4)2 consist of Sr2+ ions coordinated by nine oxygen atoms from water molecules and perchlorate tetrahedra. O—H⋯O hydrogen bonds between water molecules and ClO4 units lead to the formation of a three-dimensional network in each of the structures.
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The crystal structures of ZnCl2·xH2O (x = 2.5, 3 and 4.5) consist of Zn2+ ions both in an octahedral and tetrahedral environment. O—H⋯O hydrogen bonds between water molecules and tetrahedral ZnCl4 units lead to the formation of a three-dimensional network in each of the structures.
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In an ionic compound composed of bis(2,2′:6′,2′′-terpyridine)nickel(II) dications and dicyanidoaurate(I) dianions in a 1:2 ratio, the two tridentate terpyridine ligands define the coordination of the Ni2+ cation, resulting in a nearly octahedral coordination sphere, although there is not any imposed crystallographic symmetry about the Ni2+ site.
CCDC reference: 1033527
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The title compound is a 1,4-diaroyl pyrazole derivative and has three aromatic rings. In the crystal, molecules are linked through stacking interactions between the pyrazole rings and between the naphthalene and phenyl rings, and through intermolecular C—H⋯O hydrogen bonds to form inversion dimers.
CCDC reference: 1033534
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The title compound comprises a 2-aminopyridine ring fused with a cycloheptane ring, which adopts a chair conformation. In the crystal, molecules are linked via pairs of N—H⋯Nnitrile hydrogen bonds, forming inversion dimers which enclose (14) ring motifs
CCDC reference: 1033842
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The crystal of the isomorphous anhydrous ammonium salts of phenoxyacetic acid and (4-fluorophenoxy)acetic acid and that of the hemihydrate ammonium salt of 4-chloro-2-methylphenoxy)acetic acid show two-dimensional layered structures based on conjoined cyclic hydrogen-bonded motifs.
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The title compound {Co(CO)3[Ph2PN(i-Pr)P(Ph)N(H)i-Pr]}[Co(CO)4] is an ionic species consisting of a Co(CO)3[Ph2PN(i-Pr)P(Ph)N(H)i-Pr] cation and a [Co(CO)4] anion.
CCDC reference: 1033917
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The title compounds exhibit remarkably similar structures although they are not isomorphous. In the crystal of the sulfur analogue, molecules are linked via C—H⋯S hydrogen bonds, forming chains along [001], while in the crystal of the selenium analogue, there are no C—H⋯Se hydrogen bonds present.
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The crystal structure of ethyl (6-hydroxy-1-benzofuran-3-yl)acetate sesquihydrate exhibits a one-dimensional hydrogen-bond motif consisting of (12) rings joined at water molecules located on a twofold rotation axis.
CCDC reference: 1032887
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In the crystal structure of the title compound, [Fe(dmbpy)(H2O)4][SO4], the charged components form an extensive hydrogen-bonding network. Eight O—H⋯O hydrogen bonds [d(O⋯H) < 2.00 Å], form a two-dimensional network parallel to the ab plane.
CCDC reference: 1034106
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The basic building unit of the title complex, CuI(DMSO)(PPh3), reproduced by a symmetry centre, leads to the rhomboid dimers in which the CuI atoms are in a tetrahedral geometry. The dimers are discrete molecules, but through weak intermolecular C—H⋯O interactions involving two adjacent DMSO ligands, a one-dimensional chain assembly is formed.
CCDC reference: 1034622
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A novel meso bicyclo[2.2.2]octene-based compound was obtained from an attempted Diels–Alder reaction. It crystallizes from p-xylene as a hemisolvate.
CCDC reference: 1034481
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Two new polymorphs of the ion pair LiI(C4H8O)3 (trigonal, space group P; tetragonal, space group I41cd) show different three-dimensional arrangements in the crystal structure and co-exist at the same temperature.
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In the title salt, the piperidine ring of the cation adopts a chair conformation. In the crystal, N—H⋯O hydrogen bonds link adjacent anions and cations into infinite chains along [100]. The chains are linked by C—H⋯π interactions, forming sheets lying parallel to (001).
CCDC reference: 1034875
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The molecular structure of a non-symmetric structure based on a tetrasubstituted ethylenediamine backbone consists of three hydroxybenzyl groups and one 2-hydroxy-5-methylbenzaldehyde group bonded to the N atoms of the diamine unit. The ethylenediamine skeleton shows a regular extended conformation, while the phenol arms are randomly oriented but governed by hydrogen bonds.
CCDC reference: 1033129
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The structures of three lead(II) coordination polymers are reported. One exhibits a two-dimensional structure, whereas the other two are one-dimensional. All three exhibit bidentate bridging acetate and monodentate benzene-1,2-diamine ligands. The extended structures reveal extensive hydrogen-bonding networks involving the diamine and acetate ligands.
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In a ferrocenyl–anthracen-9(10H)-one compound that has been designed and synthesized to explore a new electron-donor (D) and -acceptor (A) conjugated complex, the two cyclopentadienyl rings adopt an eclipsed conformation. The anthracene tricycle is distorted towards a butterfly conformation.
CCDC reference: 1034683
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In the crystal structure of a hexanuclear Y3+ compound, the six Y3+ cations are arranged octahedrally around an μ6-O atom at the centre of the cationic complex. Each of the eight faces of the Y6 octahedron is capped by an μ3-OH group in the form of a distorted cube. The proximity of the cationic complexes and lattice water molecules leads to the formation of a three-dimensional hydrogen-bonded network of medium strength.
CCDC reference: 1035218
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The title molecular salt crystallizes with two independent 3-aminopyridinium cations and two bromide anions in the asymmetric unit. In the crystal, the anions and cations are linked via N—H⋯Br and C—H⋯Br hydrogen bonds, forming chains propagating along [100].
CCDC reference: 1035511
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The molecule of the title compound is approximately planar with the planes of the two pyridine rings inclined to one another by 5.51 (7)°. In the crystal, molecules are linked by bifurcated O—H⋯(O,N) hydrogen bonds, forming inversion dimers, which are in turn linked via C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (502).
CCDC reference: 1035993
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In this rhenium carbonyl complex of 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole, the ReI atom has a distorted octahedral coordination environment. Mutual N—H⋯Br hydrogen bonds arrange the molecules into centrosymmetric dimers. Additional stabilization within the crystal structure is provided by C—H⋯O and C—H⋯Br hydrogen bonds, as well as by slipped π–π stacking interactions.
CCDC reference: 1031232
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The title compound crystallizes in the TiNiSi structure type in the space group Pnma. St atoms are bonded to each other, forming six-membered rings with chair conformation whilst Pt atoms form zigzag chains of cadmium-centred tetrahedra, building up the three-dimensional network.
CCDC reference: 1036051
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In the title compound, the two indole ring systems are approximately perpendicular to one another, making a dihedral angle of 87.8 (5)°. In the crystal, pairs of N—H⋯O hydrogen bonds link the molecules into the inversion dimers, which are further linked by N—H⋯O hydrogen bonds into supramolecular chains propagating along the b-axis direction.
CCDC reference: 1036100
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In a dehydroamino acid with a C=C bond between the α- and β-C atoms, the amino acid residues are linked trans to each other and there are no strong intramolecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the molecule.
CCDC reference: 1035539
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In the crystal structure of the dehydrodipeptide (Boc-Phe-ΔAla-OiPr), the molecule has a trans configuration of the N-methylamide group. Its geometry is different from saturated peptides but is in excellent agreement with other dehydroalanine compounds. In the crystal, an N—H⋯O hydrogen bond links the molecules in a herringbone packing arrangement.
CCDC reference: 1034604
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