Acta Crystallographica Section EStructure Reports Online was launched in January 2001 as the IUCr's first electronic-only journal. It is a rapid communication journal for the publication of concise reports on inorganic, metal-organic and organic structures, and benefits from an enhanced electronic publication procedure. Each published report includes a set of key indicators, giving a summary of the main descriptors of the precision and completeness of the study, with indications of problems such as disorder. The publication...Hafnium germanium telluride- April 30, 2008 The title hafnium germanium telluride, HfGeTe4, has been synthesized by the use of a halide flux and structurally characterized by X-ray diffraction. HfGeTe4 is isostructural with stoichiometric ZrGeTe4 and the Hf site in this compound is also fully occupied. The crystal structure of HfGeTe4 adopts a two-dimensional layered structure, each layer being composed of two unique one-dimensional chains of face-sharing Hf-centered bicapped trigonal prisms and corner-sharing Ge-centered tetrahedra....http://scripts.iucr.org/cgi-bin/paper?gw2040 7-Bromo-2-methyl-1-(phenylsulfonyl)naphtho2,1-bfuran- April 30, 2008 The title compound, C19H13BrO3S, was prepared by the oxidation of 7-bromo-2-methyl-1-(phenylsulfanyl)naphtho2,1-bfuran with 3-chloroperoxybenzoic acid. The phenyl ring makes a dihedral angle of 80.4(2) with the plane of the naphthofuran fragment. The crystal structure is stabilized by aromatic stacking interactions between the brominated benzene ring and the central benzene ring of the naphthofuran system of neighbouring molecules; the centroidcentroid distances within the stack are 3.889(3)...http://scripts.iucr.org/cgi-bin/paper?jh2063 5-Iodo-2,7-dimethyl-3-phenylsulfonyl-1-benzofuran- April 30, 2008 The title compound, C16H13IO3S, was prepared by the oxidation of 5-iodo-2,7-dimethyl-3-phenylsulfanyl-1-benzofuran with 3-chloroperoxybenzoic acid. The phenyl ring makes a dihedral angle of 76.31(8) with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic interactions between the furan and benzene rings of neighbouring molecules, and between the benzene rings of neighbouring molecules; the centroidcentroid distances within the stack are 3.700(4) and 3.788(4)...http://scripts.iucr.org/cgi-bin/paper?zl2112 Redetermination of (+)-methamphetamine hydrochloride at 90 K- April 30, 2008 The title crystal structure (systematic name: N-methyl-1-phenylpropan-2-aminium chloride), C10H16N+Cl, was orginally determined by Simon, Bocskei & Torok Acta Pharm. Hung. (1992). 62, 225230 and Yao, Kan & Wang Huaxue Shijie (1999). 40, 568570at room temperature but no atomic coordinates are available for these determinations. The molecule has interest with respect to biological activity. In the crystal structure, intermolecular NH...Cl hydrogen bonds form one-dimensional chains.http://scripts.iucr.org/cgi-bin/paper?lh2608 Erlotinib hydrochloride: an anticancer agent- April 30, 2008 In the cation of the title compound, C22H24N3O4+Cl, an active ingredient of the anticancer drug also known as Tarceva, the quinazoline ring system is planar within 0.044(3). The dihedral angle formed by the mean planes of the two six-membered quinazoline rings is 3.2(1). Both N-bound H atoms participate in NH...Cl bonds, which link the ions into infinite chains running along the b axis. CH...O interactions involving neighboring cations provide additional stabilization of these aggregates.http://scripts.iucr.org/cgi-bin/paper?ya2075 4-Ethyl-3-(3-pyridyl)-1H-1,2,4-triazole-5(4H)-thione 0.095-hydrate- April 30, 2008 The title compound, C9H10N4S0.095H2O, consists of discrete 4-ethyl-3-(3-pyridyl)-1H-1,2,4-triazole-5(4H)-thione molecules and a disordered molecule of water of hydration with partial occupancy, lying on a twofold rotation axis. The dihedral angle between the pyridine and triazole rings is 41.73(8). In the crystal structure, molecules are hydrogen bonded via triazole NH groups and pyridyl N atoms, forming chains parallel to the a axis.http://scripts.iucr.org/cgi-bin/paper?lh2615 (2S)-2-(3-Oxo-1,4-dioxaspiro4.5decan-2-yl)ethanoic acid- April 30, 2008 The title compound, C10H14O5, is an intermediate in our study of the asymmetric synthesis of -hydroxyalkanoic acids. The structure consists of 1,4-dioxaspiro4,5decane skeleton formed when the cyclohexylidene group binds to both of the hydroxyl groups of carboxylic groups of the starting malic acid. The six-membered ring adopts a chair conformation.http://scripts.iucr.org/cgi-bin/paper?wk2081 Bispuupehenone from the South Chinese Sea sponge Dysidea sp.- April 30, 2008 Bispuupehenone, C42H54O6, formally results from dimerization of puupehenone, which is constructed of sesquiterpene and benzene units. Bispuupehenone was isolated from the South China Sea sponge Dysidea sp. and the single-crystal X-ray diffraction analysis confirmed the previously reported structure. The molecule is located on a twofold axis and the dimerization forms two fused dibenzopyran systems related by symmetry. In the asymmetric unit, the two cyclohexane rings adopt chair conformations,..http://scripts.iucr.org/cgi-bin/paper?bh2164 2-(1H-1,2,3-Benzotriazol-1-yl)-1-m-toluoylethyl 2,4-dichlorobenzoate- April 30, 2008 In the title compound, C23H17Cl2N3O3, the dihedral angles between the mean planes of the benzotriazole system and the methyl- and dichloro-substituted benzene rings are 47.72(1) and 13.06(1), respectively. In the crystal structure, intermolecular CH...O and CH... interactions help to consolidate the packing.http://scripts.iucr.org/cgi-bin/paper?hb2721 N-(3,5-Dichloro-2-hydroxybenzylidene)-3-methoxybenzohydrazide methanol solvate- April 30, 2008 In the title compound, C15H12Cl2N2O3CH3OH, the Schiff base molecule is nearly planar, with a dihedral angle of 4.5(2) between the two benzene rings. An intramolecular OH...N hydrogen bond is observed. The methanol solvent molecule is linked to the Schiff base molecule through intermolecular NH...O and OH...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?ci2593 |