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...2,2-Bi6,6-dimethyldibenzod,f1,3dioxepine- April 10, 2008 The title compound, C30H26O4, is a dimer of 6,6-dimethyldibenzod,f1,3dioxepine linked by formation of a CC bond in the para position with respect to one O atom. The dimer is arranged around an inversion centre. As is usually observed in related compounds, the dibenzo group is twisted, the two benzene rings making a dihedral angle of 41.56(9). The seven-membered ring exhibits a twisted conformation.http://scripts.iucr.org/cgi-bin/paper?dn2334 1-Cyclohexylmethyl-3-methyl-2-(phenylimino)(sulfido)methylbenzimidazolium- April 10, 2008 In the zwitterionic title compound, C22H25N3S, the benzimidazole ring system makes a dihedral angle of 55.69(11) with the phenyl ring. In the crystal structure, inter- and intramolecular CH...S interactions occur.http://scripts.iucr.org/cgi-bin/paper?hb2714 1-Methyl-5-(4-methylphenyl)-3-oxocyclohexane-1-carbonitrile- April 10, 2008 In the title molecule, C15H17NO, the cyclohexane ring adopts a chair conformation. The cyano and methyl groups at position 1 have axial and equatorial orientations, respectively. The benzene ring has an equatorial orientation. A CH... interaction involving the benzene ring is found in the crystal structure.http://scripts.iucr.org/cgi-bin/paper?wn2249 (E)-3-(4-Hydroxy-3-methoxybenzylidene)-4-(4-hydroxyphenyl)pyrrolidin-2-one- April 10, 2008 The title compound, C18H17NO4, was isolated from an ethanol extract of Ophiopogon japonicus. The dihedral angle between the 4-hydroxy-3-methoxyphenyl ring and the pyrrolidine ring is 17.4(1). The 4-hydroxyphenyl ring makes a dihedral angle of 69.74(6) with the least-squares plane through the 4-hydroxy-3-methoxyphenyl ring and the pyrrolidine ring. The conformation of the pyrrolidine fragment is similar to a T-form. The crystal structure is stabilized by intermolecular NH...O and OH...O hydrogen.http://scripts.iucr.org/cgi-bin/paper?lx2053 2,6-Bis(3-phenyl-1H-pyrazol-5-yl)pyridine monohydrate- April 10, 2008 In the title compound, C23H17N5H2O, the pyrazole rings are slightly twisted from the central pyridine ring, forming dihedral angles of 5.3(2) and 3.5(2). The pyrazole and phenyl rings on each side of the pyridine ring are also approximately coplanar, making dihedral angles of 6.0(2) and 4.5(2). In the crystal structure, 2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine and water molecules are linked together via NH...O and OH...N hydrogen bonds, forming a column running parallel to the a axis.http://scripts.iucr.org/cgi-bin/paper?is2276 N-(3-Oxo-1-thia-4-azaspiro4.5dec-4-yl)-6-phenylimidazo2,1-b1,3thiazole-3-acetamide hemihydrate- April 10, 2008 The title compound, C21H22N4O2S20.5H2O, crystallizes with two molecules in the asymmetric unit. The dihedral angles between the phenyl and imidazothiazole ring systems are 19.16(9) and 21.37(9). In the imidazothiazole ring systems, the cyclohexane rings adopt chair conformations, while the thiazole rings have distorted envelope conformations. The two molecules are stabilized by intramolecular NH...O, OH...O and CH...S interactions and the crystal structure is stabilized by intermolecular...http://scripts.iucr.org/cgi-bin/paper?hg2390 Methyl 4-methylbenzoate- April 10, 2008 The structure of the title compound, C9H10O2, is related to that of 4-methylphenyl 4-methylbenzoate and ethylene di-4-methylbenzoate showing similar bond parameters. The molecule is planar, the dihedral angle between the aromatic ring and the COOMe group being 0.95(6). The cystal structure exhibits intermolecular CH...O contacts that link molecules into infinite chains extended in the 001 direction.http://scripts.iucr.org/cgi-bin/paper?sg2231 5,3-Dihydroxy-7,4-dimethoxyflavanone from Artemisia sphaerocephala Kraschen- April 10, 2008 The title compound, C17H16O6, was isolated from the Chinese Tibetan medicinal plant Artemisia sphaerocephala Kraschen. The molecular conformation is consolidated by two intramolecular OH...O hydrogen bonds. A further intermolecular OH...O hydrogen bond leads to chains along 010 in the crystal structure.http://scripts.iucr.org/cgi-bin/paper?hb2716 trans-Dichloridobis(triphenylphosphine)palladium(II)In memory of Professor Xavier Solans i Huguet, deceased September 3, 2007.- April 4, 2008 The title compound, PdCl2P(C6H5)32, has a slightly distorted square-planar geometry, with the chloride ligands coordinated in a trans configuration. The Pd atom is located on a centre of inversion.http://scripts.iucr.org/cgi-bin/paper?bt2685 2-(2,4-Dichlorophenyl)-3-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl-1,3-thiazolidin-4-one- April 4, 2008 In the molecule of the title compound, C18H13Cl2N3O2S2, the thiazolidinone ring has an envelope conformation with the S atom displaced by 0.394(3) from the plane of the other ring atoms. The thiadiazole ring is oriented at a dihedral angle of 7.40(4) with respect to the 4-methoxyphenyl ring. Intramolecular CH...S, CH...N and CH...Cl hydrogen bonds result in the formation of two planar and two non-planar five-membered rings. The planar five-membered rings are oriented at a dihedral angle of...http://scripts.iucr.org/cgi-bin/paper?hk2442 |