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...Diethyl 2-(1-methyl-1H-pyrrol-2-yl)methyleneamino-5-(2-thienylmethyleneamino)thiophene-3,4-dicarboxylate- April 2, 2008 Both imine bonds of the title compound, C21H21N3O4S2, were found to be in the E configuration. The terminal pyrrole and thiophene rings are twisted by 2.5(3) and 2.3(2), respectively, from the mean plane of the central thiophene to which they are attached. The structure is disordered by exchange of the terminal heterocyclic rings; the site occupancy factors are ca 0.8 and 0.2. The crystal packing involves some stacking 3.449(4) between pyrrole and terminal thiophene rings.http://scripts.iucr.org/cgi-bin/paper?fl2192 Substitutional disorder in the substituted nixantphos ligand C39H32Br0.27Cl0.73NOP2- April 2, 2008 The structure of 10-(3-bromochloropropyl)-4,6-bis(diphenylphosphino)-10H-phenoxazine, C39H32Br0.27Cl0.73NOP2, shows chlorobromo substitutional disorder in a 3:1 ratio. For application as a ligand in catalysis, the intramolecular P...P distance of 4.263(2) is relevant. The phenoxazine ring system is essentially planar.http://scripts.iucr.org/cgi-bin/paper?pv2073 17-Ethynyl-3-methoxyestra-1,3,5(10),9(11)-tetraen-17-ol- April 2, 2008 In the title compound, C21H24O2, rings B, C and D adopt half-chair, distorted half-chair and envelope conformations, respectively. In the crystal structure, there is an intermolecular OH...O hydrogen bond. The molecules are arranged in a head-to-tail fashion, with the methoxy and hydroxy groups forming a two-dimensional hydrogen-bond network.http://scripts.iucr.org/cgi-bin/paper?wn2237 Dicyclohexylammonium 2-methoxybenzoate- April 2, 2008 The asymmetric unit of the title compound, C12H24N+C8H7O3, contains one dicyclohexylammonium cation and one 2-methoxybenzoate anion. Two cations and two anions are linked together to form a four-ion cluster through a set of NH...O hydrogen bonds. Weak CH...O hydrogen bonds connect the clusters into chains that are stacked along the crystallographic c axis.http://scripts.iucr.org/cgi-bin/paper?wn2244 -4,4-Bipyridyl-1:22N:N-methanol-2O-tetrakis(tri-tert-butoxysilanethiolato)-14O,S;22S-dizinc(II)- April 2, 2008 The title compound, Zn2(C12H27O3SSi)4(C10H8N2)(CH4O), is a binuclear complex with the two ZnII atoms linked via a bridging 4,4-bipyridyl ligand. One of the ZnII atoms is penta-coordinated by two O,S-chelating tri-tert-butoxysilanethiolate units and one N atom of a 4,4-bipyridine ligand, and the other ZnII atom is tetrahedrally coordinated by two tri-tert-butoxysilanethiolate anions acting as monodentate S ligands, the methanol O atom and the other N atom of the 4,4-bipyridine ligand. This...http://scripts.iucr.org/cgi-bin/paper?ci2570 3-(2-Hydroxy-5-methylanilino)isobenzofuran-1(3H)-one3-Substituted phthalides. Part XXXVII.- April 2, 2008 In the molecule of the title compound, C15H13NO3, the phthalide ring system is virtually planar, with a dihedral angle of 1.98(3) between the fused five- and six-membered rings. The substituted aromatic ring is oriented at a dihedral angle of 57.50(3) with respect to the phthalide ring system. In the crystal structure, intermolecular OH...O and NH...O hydrogen bonds link the molecules, forming a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?hk2444 Di--iodido-bis(4-fluorobenzoylmethylene)triphenyl-5-phosphoraneiodidomercury(II)- April 2, 2008 In the title complex, Hg2I4(C26H20FOP)2, the HgII centre is four-coordinate with one short HgI bond 2.6895(7), one HgC bond and two asymmetric bridging HgI bonds with distances of 2.7780(8) and 3.2599(8). The title molecule has a crystallographic inversion centre at the centroid of the four-membered ring formed by the two Hg atoms and two I atoms. The crystal packing is stabilized by CH...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?bt2690 3-(4-Methylpiperazin-1-yl)isobenzofuran-1(3H)-one3-Substituted phthalides. XXXVI.- April 2, 2008 In the molecule of the title compound, C13H16N2O2, the phthalide ring system is virtually planar, with a dihedral angle between the fused five- and six-membered rings of 1.17(4). The methylpiperazine ring adopts a chair conformation. In the crystal structure, intermolecular CH...O and CH...N hydrogen bonds link the molecules, generating edge-fused R33(17) ring motifs, to form a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?hk2441 Bis4-(4-methoxyphenyl)-4H-1,2,4-triazole-N1bis(thiocyanato-N)zinc(II)- April 2, 2008 In the title complex, Zn(NCS)2(C9H9N3O)2, the ZnII ion is coordinated by two N atoms from the NCS anions and two N atoms from two 4-(4-methoxyphenyl)-4H-1,2,4-triazole ligands in a slightly distorted tetrahedral geometry. Three intermolecular weak hydrogen-bonding contacts of the types CH...N, CH...S and CH...O are observed in the crystal structure.http://scripts.iucr.org/cgi-bin/paper?si2077 5,6-Dichloro-2-(2-hydroxyphenyl)isoindoline-1,3-dione- April 2, 2008 In the molecule of the title compound, C14H7Cl2NO3, the phthalimide ring system is virtually planar, with a dihedral angle between the fused five- and six-membered rings of 4.02(3). In the crystal structure, intermolecular CH...O and OH...O hydrogen bonds and CCl...O close contacts Cl...O = 3.0123(13) and CCl...O = 171.14(7) link the molecules, generating R22(16), R42(19) and R44(22) ring motifs by C(6) chains to form a three-dimensional network. A weak interaction between the six-membered...http://scripts.iucr.org/cgi-bin/paper?hk2440 |