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August 2016 issue
metal-organic compounds
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In the crystal structure of the title compound, the iron(II) cations are sixfold coordinated by two methanol molecules and four N atoms of two bis(pyrazolyl)borate dianions, forming slightly distorted octahedral discrete complexes.
CCDC reference: 1497420
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In the title compound, the tetrachloridozincate ion, [ZnCl4]2−, presents a geometry close to tetrahedral, unlike the [CuCl4]2− anion in the isostructural compound previously reported.
CCDC reference: 1497008
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The single-crystal structure of (biphenyl-2,2-diyl)[bis(diphenylphosphanyl)propane)platinum(II) is compared to that with a methyl group bridging two diphenyl phosphine donor groups and to another lacking a C—C bond between two coordinating phenyl groups.
CCDC reference: 1498262
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The title molecular salt consists of a tetrahedral tetrabromidozincate dianion and two triethylammonium cations linked by N—H⋯Br hydrogen bonds.
CCDC reference: 1499335
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A K+ cation is coordinated to a monoanionic 2,6-bis(trimethylsilylamino)pyridine and an 18-crown-6 macrocycle. The complex forms a monomer unlike other related complexes of potassium with similar trialkylsilylpyridine ligands and crown ethers.
CCDC reference: 1500232
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The synthesis and crystal structure of a centrosymmetric CoII complex with a triazole-based ligand are reported.
CCDC reference: 1487833
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The triclinic polymorph of [Rh(COD)(dppmp)]BF4 is presented.
CCDC reference: 1499364
organic compounds
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In 6-methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-thione, the triazepine ring displays a boat conformation. In the crystal, molecules are linked into centrosymmetric dimers by N—H⋯N hydrogen bonds.
CCDC reference: 1496665
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The cations are protonated at the pyridine N atoms. The cations and anions are linked by weak N—H⋯O, C—H⋯O hydrogen bonds and π–π interactions. In the crystal, N—H⋯O hydrogen bonds link the anions and cations into a two-dimensional network parallel to (10).
CCDC reference: 1496855
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The title triazepine derivative features a seven-membered ring having a boat conformation, while the fused five-membered ring is almost planar.
CCDC reference: 1497249
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In 4-bromo-N-(4-fluorophenyl)benzenesulfonamide, the dihedral angle between the planes of the two aromatic rings is 41.17 (19)°. In the crystal, N—H⋯O(S) hydrogen bonds between the molecules form infinite one-dimensional C(4) chains along [001]. These chains are interconnected via short F⋯F contacts [F⋯F = 2.868 (4) Å], forming a one-dimensional ribbon-like architecture.
CCDC reference: 1497562
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Adamantane compounds have received considerable interest from the pharmacological community owning to their antiviral activity. N-(Pyrazin-2-yl)adamantane-1-carboxamide is composed of an adamantine unit and a pyrazine ring connected to each other through the amide bond. In the crystal, molecules are arranged in a herringbone fashion.
CCDC reference: 1497616
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In the title compound, the sulfanylidenethiazolidine ring and the benzylidene ring are almost coplanar, making a dihedral angle of 0.1 (2)° while the mean plane through the allyl group subtends a dihedral angle of 69.5 (5)° with the sulfanylidenethiazolidine ring.
CCDC reference: 1496946
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In the title nitropyridine derivative, the dihedral angle between the benzene and pyridine rings is 65.90 (7)°. In the crystal, molecules are linked by O—H⋯O hydrogen bonds, forming chains propagating along [10].
CCDC reference: 1063585
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The title compound is primarily a hydrazone formed by the reaction of a precursor hydrazide with pyridine-2-aldehyde. However, it rearranges to a diazo derivative by a 1,3 proton shift. The molecule has an E conformation about the N=N bond and a Z conformation about the C=C bond.
CCDC reference: 1498199
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Crystals of 1,1′-biphenyl-2,2′,5,5′-tetracarboxylic acid (H4bptc) were obtained under hydrothermal conditions. The molecules are connected through intermolecular hydrogen bonds, leading to the formation of a two-dimensional supramolecular network.
CCDC reference: 1496472
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The isoquinoline moiety is oriented at an angle of 12.0 (2)° with respect to the chlorobutanamide moiety. In the crystal, molecules are linked via N—H⋯N and C—H⋯O hydrogen bonds which form (8) and (16) graph-set dimers.
CCDC reference: 1498471
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The crystal structure of the salt 2-amino-4-methylpyridinium 2-(4-nitrophenyl)acetate features N—H⋯O hydrogen bonds, C—H⋯O contacts and C—H⋯π and π–π interactions.
CCDC reference: 1495632
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The molecules of tetrakis(dimethoxyboryl)methane, which reside on sites of crystallographic twofold symmetry, have idealized point symmetry like most other CX4 molecules in which each X group bears two non-H substituents at the 1-position.
CCDC reference: 1497734
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The dihedral angle between the acetohydrazide moiety and the thiazole ring is 80.96 (8)°. In the crystal, molecules are linked by N—H⋯O and N—H⋯N hydrogen bonds generating (010) sheets.
CCDC reference: 1498091
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The title chalcone derivative was obtained by a Claisen–Schimdt condensation in basic solution of ethanol–water between 2,5-difluorobenzaldehyde and acetophenone. The structure is almost planar, with the dihedral angle between the planes of the benzene and phenyl rings being 7.45 (9)°.
CCDC reference: 1498634
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The P atom in tris(4-methoxyphenyl)phosphine selenide is in a distorted tetrahedral environment. The torsion angles of the phenyl rings relative to the P=Se bond are 35.62 (10), 35.07 (13), and 44.50 (11)°.
CCDC reference: 1497935
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The cation is protonated at the pyridine N atom; in the crystal [010] chains linked by N—H⋯O hydrogen bonds occur.
CCDC reference: 1499947
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1,2,3,5-Tetramethylpyrazolium triiodide was obtained unintentionally by methylation of 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine and subsequent fragmentation. The pyrazolium ring is almost planar and the triiodide anion deviates slightly from linearity.
CCDC reference: 1499905
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In the title phenothiazine derivative, the dihedral angle between the two outer aromatic rings of the phenothiazine unit is 39.53 (10)°. π–π interactions are observed between the aromatic rings of neighbouring molecules.
CCDC reference: 1497137
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In the title compound, the dihedral angle between the pyridine and benzene rings is 2.52 (9)°. In the crystal, O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds link the components into a three-dimensional network.
CCDC reference: 1498730
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The complete molecule of N,N′-bis(pyridin-2-yl)octanediamide is generated by crystallographic inversion symmetry. In the crystal, N—H⋯N hydrogen bonds connect the molecules into [010] chains, which feature (8) loops. The packing is consolidated by C—H⋯O interactions.
CCDC reference: 1499041
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Allyl 3,4,6-tri-O-acetyl-2-deoxy-2-phthalimido-β-D-glucopyranoside, a useful intermediate in oligosaccharide synthesis, was prepared and analyzed by X-ray crystallography, confirming the β-anomeric configuration and showing an approximately orthogonal orientation of the phthalimido group with respect to the pyranose ring.
CCDC reference: 1500891
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In the title compound, the dihedral angles between the pyrazole ring and its phenyl, aniline and benzofuran substituents are 47.64 (8), 4.00 (8) and 29.12 (7)°, respectively. In the crystal, aromatic π–π stacking between the pyrazole rings generates inversion dimers.
CCDC reference: 1500846