Acta Crystallographica Section CActa Crystallographica Section C: Crystal Structure Communications is a rapid communication journal for the publication of concise reports on crystal and molecular structures. The numerical and text descriptions of each structure are submitted to the journal electronically as a Crystallographic Information File (CIF) and are checked and typeset automatically prior to peer review. The published paper contains an encapsulation of the data that are essential to understanding the main features of...A novel one-dimensional zinc coordination polymer containing 4-methylbenzoate and 4,4-bipyridine- July 5, 2008 The title compound, catena-polytris(-4-methylbenzoato)-2O:O;4O:O-(4-methylbenzoato-2O,O)dizinc(II)--4,4-bipyridine-2N:N, Zn2(C8H7O2)4(C10H8N2)n, is a novel coordination polymer. The asymmetric unit contains two unique ZnII ions, four 4-methylbenzoate ligands and one 4,4-bipyridine (4,4-bpy) ligand, all in general positions. The four 4-methylbenzoate ligands link the two ZnII centres to form a dinuclear unit, with a Zn...Zn separation of 3.188(2), which can be regarded as a supramolecular...http://scripts.iucr.org/cgi-bin/paper?sq3142 Thioacetanilide at 120K- July 5, 2008 The title compound, C8H9NS, has four symmetry-independent molecules in the asymmetric unit. These molecules link into two independent infinite NH...S hydrogen-bonded chains in the a-axis direction with graph-set notation C22(8). The NHCS group adopts a trans conformation and forms a dihedral angle of about 50 with the phenyl ring. The intermolecular hydrogen-bond energy calculated by the density functional theory (DFT) method is 14.95kJmol1. The correlation between the IR spectrum of this...http://scripts.iucr.org/cgi-bin/paper?sk3238 (8a,9,9a-)-9-(5-Cyclopentadienyl)-9-nickelafluorenyl(5-pentamethylcyclopentadienyl)nickel(II)- July 5, 2008 The title compound, Ni2(C5H5)(C10H15)(C12H8) or Ni(C10H15)Ni(C5H5)(C12H8), is a rare example (and the first obtained from nickelafluorenyllithium) of an analogue of nickelocene in which the central Ni atom is coordinated to one pentamethylcyclopentadienyl ring and one nickelafluorenyl ring. Both rings lie almost parallel to one another: the dihedral angle between the planes which include these rings is 4.4(1). Slip parameter analysis indicates that the bonding mode of the central Ni atom to the.http://scripts.iucr.org/cgi-bin/paper?sq3150 A novel tetranuclear copper(I) sulfanide complex with bis(diphenylphosphino)amine- July 5, 2008 The title novel mixed 2-SH- and 3-SH-bridged tetranuclear copper(I) complex, cyclo-bis2-bis(diphenylphosphino)aminedi-3-sulfanido-di-2-sulfanido-tetracopper(I) methanol disolvate, Cu4(SH)4(C24H21NP2)22CH3OH, has crystallographically imposed centrosymmetry and affords a neutral Cu4S4 core with a distorted step-like structure. The distances of 2.8458(16) and 2.8179(16) between copper(I) centres indicate the presence of ligand-supported Cu...Cu interactions. Strong NH...O and OH...S hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?em3015 An interpenetrating primitive cubic net formed by hydrogen bonds and coordination bonds in catena-polybis(methanol-O)bis(thiocyanato-N)iron(II)--1,2-b- July 5, 2008 In the title compound, Fe(NCS)2(C12H10N4)(CH4O)2n, at 153(2)K, the Fe atom is located on an inversion centre, as is the centre of the NN bond in the ligand molecule. The structure contains a one-dimensional coordination polymer with an Fe...Fe distance of 15.866(7) and can be described as two interpenetrating six-connected primitive cubic (pcu) three-dimensional networks when additional intermolecular OH...S hydrogen bonds are taken into account. The compound is not isostructural with the...http://scripts.iucr.org/cgi-bin/paper?sk3226 Two derivatives of 1,5-disubstituted tetrazoles: 1-(4-nitrophenyl)-1H-tetrazol-5-amine and (E)-1-(4-ethoxyphenyl)-1H-tetrazol-5-yliminomethyldimethyla- July 5, 2008 The geometric features of 1-(4-nitrophenyl)-1H-tetrazol-5-amine, C7H6N6O2, correspond to the presence of the essential interaction of the 5-amino group lone pair with the system of the tetrazole ring. Intermolecular NH...N and NH...O hydrogen bonds result in the formation of infinite chains running along the 110 direction and involve centrosymmetric ring structures with motifs R22(8) and R22(20). Molecules of (E)-1-(4-ethoxyphenyl)-1H-tetrazol-5-yliminomethyldimethylamine, C12H16N6O, are...http://scripts.iucr.org/cgi-bin/paper?sk3250 |