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...Diaquadimethanolbis4-(1H-tetrazol-1-yl)benzoatozinc(II) dihydrate- April 4, 2008 In the title compound, Zn(C8H5N4O2)2(CH3OH)2(H2O)22H2O, the ZnII ion lies on an inversion centre and is coordinated by two O atoms from two 4-(tetrazol-1-yl)benzoate ligands, two O atoms from two methanol molecules and two O atoms from two water molecules in a slightly distorted octahedral geometry. In addition, there are two uncoordinated water molecules in the crystal structure. The crystal structure is stabilized by intermolecular OH...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?at2552 The cocrystal aquachlorido6,6-di-tert-butyl-2,2-1,2-phenylenebis(nitrilomethylidyne)diphenolato-4O,N,N,Omanganese(III)chlorido6,6-di-tert-butyl-2,2-1,- April 4, 2008 The asymmetric unit of the title complex, Mn(C28H30N2O2)Cl(H2O)Mn(C28H30N2O2)Cl(CH3OH), contains two discrete MnIII complexes of a Schiff base ligand, with an N2O2 donor set. Both MnIII centers are in a distorted octahedral geometry with the N2O2 donor atoms of the tetradentate Schiff base dianion in the equatorial plane. The axial positions in the coordination environment of one MnIII complex are occupied by a chloride ion and a water molecule, but a methanol molecule replaces the water...http://scripts.iucr.org/cgi-bin/paper?sj2472 -6,6-Dimethoxy-2,2-1,2-phenylenebis(nitrilomethylidyne)diphenolatomethanolcopper(II)sodium(I)- April 4, 2008 In the title complex, NaCu(C22H18N2O4)Cl(CH3OH), the Cu atom lies nearly in the plane defined by the N2O2 core of donor atoms, the out-of-plane distance being 0.001(2). The anion provides a planar cavity of four O atoms which accommodates a sodium cation. The coordination geometry around sodium is completed by the methanol O atom and a chloride ion. The four O atoms define a coordination plane containing the sodium cation maximum displacement from the mean plane through the five atoms =...http://scripts.iucr.org/cgi-bin/paper?hg2383 3,5,7-Tripropyl-1-azaadamantane-4,6,10-triol- April 4, 2008 The title compound, C18H33NO3, was prepared according to a highly diastereoselective hydrogenation procedure from 3,5,7-triallyl-1-azaadamantane-4,6,10-trione. The crystal structure of the title compound contains two crystallographically independent molecules (Z = 2), which are linked by intermolecular hydrogen bonding into chains. In contrast to the azaadamantanones, the azaadamantanetriol core of the title compound does not show any particular CC bond elongation.http://scripts.iucr.org/cgi-bin/paper?nc2092 1,8-Dibenzoyl-2,7-dimethoxynaphthalene- April 4, 2008 The molecule of the title compound, C26H20O4, is located on a twofold rotation axis. The two benzoyl groups are situated in an anti orientation. The dihedral angle between the mean planes of the phenyl ring and the naphthalene ring system is 80.25(6). The phenyl and carbonyl groups in each benzoyl group are almost coplanar. The molecular packing is stabilized by weak CH...O hydrogen bonds and a stacking interaction between the phenyl rings centroidcentroid and interplanar distances of...http://scripts.iucr.org/cgi-bin/paper?is2282 (meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(O,O-dibenzyl dithiophosphate)- April 4, 2008 In the title salt-type 1:2 adduct, Ni(C16H36N4)(C14H14O2PS2)2 or Ni(tet-a)S2P(OCH2Ph)22, where tet-a is meso-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, the Ni(tet-a)2+ complex cation exhibits a relatively undistorted square-planar geometry about the Ni atom, which lies on an inversion centre and is coordinated by four macrocyclic N atoms. The two O,O-bis(2-phenylmethyl) dithiophosphate anions act as counter-ions to balance the charge and they interact with the complex through..http://scripts.iucr.org/cgi-bin/paper?dn2324 l-Alanine hydrochloride monohydrate- April 4, 2008 Colorless crystals of l-alanine hydrochloride monohydrate, C3H8NO2+ClH2O, were obtained from a powder sample that had been left standing in a refrigerator for a few years. The structure displays several intermolecular hydrogen bonds: the hydroxyl O atom is involved in a single hydrogen bond to the chloride anion, while the ammonium group forms one hydrogen bond to the chloride anion and two hydrogen bonds to water molecules. An intermolecular bond between the carbonyl O atom and the ammonium...http://scripts.iucr.org/cgi-bin/paper?hg2382 Dichlorido(2-chloro-9-mesityl-1,10-phenanthroline-2N,N)cobalt(II) dichloromethane hemisolvate- April 4, 2008 The title compound, CoCl2(C21H17ClN2)0.5CH2Cl2, crystallizes from dichloromethane as a 2:1 solvate CoCl2L2CH2Cl2 (L is 2-chloro-9-mesityl-1,10-phenanthroline). There are two independent CoCl2L molecules in the asymmetric unit and both molecules have similar conformations. They are connected by a weak CH... interaction involving the mesityl ring. The cobalt center is four-coordinated by the two N-atom donors of the bidentate ligand and two chloride ions in a distorted tetrahedral geometry. The...http://scripts.iucr.org/cgi-bin/paper?dn2321 N-(2-Hydroxy-5-chlorobenzylidene)-4-nitrobenzohydrazide methanol solvate- April 2, 2008 The title compound, C14H10ClN3O4CH4O, was synthesized from the reaction of 5-chlorosalicylaldehyde with 4-nitrobenzohydrazide in methanol. The Schiff base molecule is nearly planar, with a dihedral angle of 9.1(3) between the two benzene rings. The methanol solvent molecules are linked to the Schiff base molecules by NH...O, OH...N and OH...O hydrogen bonds, forming chains running parallel to the a axis.http://scripts.iucr.org/cgi-bin/paper?ci2574 Tetraaquabis(biuret-2O,O)yttrium(III) trichloride- April 2, 2008 In the title compound, Y(C2H5N3O2)2(H2O)4Cl3, the Y3+ ion (site symmetry 2) is bonded to eight O atoms (arising from two O,O-bidentate biuret molecules and four water molecules) in a distorted square-antiprismatic arrangement. A network of NH...O, NH...Cl and OH...Cl hydrogen bonds help to establish the packing, leading to a three-dimensional network. One of the chloride ions has site symmetry 2.http://scripts.iucr.org/cgi-bin/paper?tk2260 |