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...Methyl 2-(2-hydroxybenzylideneamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate- April 18, 2008 In the title compound, C17H17NO3S, the cyclohexene ring is essentially planar, with a maximum deviation of 0.006(1). The cyclohexene ring adopts a half-chair conformation. The dihedral angle between the thiophene and benzene rings is 29.7(1). The molecular structure exhibits intramolecular OH...O, OH...N and CH...S hydrogen bonds, which generate one S(5) and two S(6) motifs. There is also a CH... interaction between the cyclohexene ring system and the -system of the benzene ring.http://scripts.iucr.org/cgi-bin/paper?is2289 (S)-()-Methyl 2-(p-tolylsulfonyloxy)propanoate- April 18, 2008 In the title compound, C11H14O5S, there is an intramolecular CH...O hydrogen bond, for which the CCSO torsion angle involving the acceptor and donor atoms is 2.4(4). The dihedral angle between the benzene ring and the methoxycarbonyl plane is 52.7(4). In the crystal structure, molecules are linked via intermolecular CH...O hydrogen bonds, forming a molecular chain along the b axis.http://scripts.iucr.org/cgi-bin/paper?is2285 2,2-Diazinodimethylidyne)di-o-phenylene) dibenzoate- April 18, 2008 The title compound, C28H20N2O4, was synthesized by the reaction of 2-(hydrazonomethyl)phenyl benzoate with iodine. The molecule possesses a crystallographically imposed center of symmetry at the mid-point of the hydrazine NN bond. The substituents at the ends of the C=N bonds adopt an E,E configuration. Intermolecular CH...(arene) hydrogen bonds and aromatic stacking interactions centroidcentroid distance 3.900(1) link the molecules into (100) sheets. In addition, there is an intermolecular...http://scripts.iucr.org/cgi-bin/paper?fj2111 4-Bromo-2-2-(isopropylamino)ethyliminomethylphenolatothiocyanatocopper(II)- April 18, 2008 In the title mononuclear Schiff base copper(II) complex, Cu(C12H16BrN2O)(NCS), the CuII ion is coordinated by two N atoms and one O atom from a Schiff base ligand, and by one N atom from a thiocyanate anion, giving a square-planar geometry. There are long-range interactions between the Cu atom and S 3.151(5) and Br 3.929(5) atoms above and below the square plane.http://scripts.iucr.org/cgi-bin/paper?om2226 mer-Triaqua(1,10-phenanthroline-2N,N)(sulfato-O)magnesium(II)- April 18, 2008 In the title compound, Mg(SO4)(C12H8N2)(H2O)3, the MgII centre exhibits a slightly distorted octahedral coordination environment defined by two N atoms from a 1,10-phenanthroline molecule, one O atom from a sulfate dianion and three meridionally arranged O atoms from coordinated water molecules. The crystal structure involves intra- and intermolecular OH...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?im2060 ()545-fac--Tris(l-prolinato)cobalt(III) trihydrate- April 18, 2008 The absolute configuration of the octahedral fac-CoN3O3 title complex, Co(C5H8NO2)33H2O, has been determined by single-crystal X-ray analysis. A three-dimensional network of hydrogen bonds is observed between the proline carboxylate groups and the three uncoordinated water molecules.http://scripts.iucr.org/cgi-bin/paper?tk2254 -1,2-Di-4-pyridylethane-2N:N-bisbis(N,N-diisopropyldithiocarbamato-2S,S)zinc(II)- April 18, 2008 In the dinuclear title compound, ZnS2CN(n-Pr)22(NC5H4)CH2CH2(C5H4N) or Zn2(C7H14NS2)4(C12H12N2), each Zn atom adopts a distorted trigonalbipyramidal ZnNS4 geometry. The crystal structure involves intermolecular CH...S hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?sj2481 Diaquabis(pyridine-2-carboxylato-2N,O)cobalt(II)- April 18, 2008 In the molecule of the title compound, Co(C6H4NO2)2(H2O)2, the coordination environment around the CoII atom is distorted octahedral; two N and two O atoms of the pyridine-2-carboxylate ligands lie in the equatorial plane and the two water O atoms in the axial positions. In the crystal structure, intermolecular OH...O hydrogen bonds link the molecules, forming a supramoleular network structure.http://scripts.iucr.org/cgi-bin/paper?hk2450 Hydroxonium triaquabis(biuret-2O,O)dichloridolanthanum(III) dichloride dihydrate- April 18, 2008 In the title compound, (H3O)LaCl2(C2H5N3O2)2(H2O)3Cl22H2O, the La atom is bonded to seven O atoms (arising from two O,O-bidentate biuret molecules and three water molecules) and two chloride ions in an irregular arrangement. A network of NH...O, NH...Cl, OH...O and OH...Cl hydrogen bonds helps to establish the packing, leading to a three-dimensional network. The La atom, one Cl atom and four O atoms lie on a crystallographic mirror plane.http://scripts.iucr.org/cgi-bin/paper?fj2113 4-(Diethylamino)salicylaldehyde phenylsulfonylhydrazone- April 18, 2008 In the title compound, C17H21N3O3S, the dihedral angle between the aromatic ring planes is 84.2(2). The pendant ethyl groups of the N(C2H5)2 group are disordered over two sets of positions in a 0.84(2):0.16(2) ratio. The molecular conformation is stabilized by an intramolecular OH...N hydrogen bond, and intermolecular NH...O bonds lead to 010 chains in the crystal structure.http://scripts.iucr.org/cgi-bin/paper?hb2720 |