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...Diaquabis(2,5-di-4-pyridyl-1,3,4-thiadiazole-N2)bis(thiocyanato-N)copper(II) dihydrate- April 10, 2008 In the title compound, Cu(NCS)2(C12H8N4S)2(H2O)22H2O, the Cu atom is located on an inversion center and displays an octahedral geometry. Two N atoms of two different 2,5-di-4-pyridyl-1,3,4-thiadiazole ligands and two N atoms from two separate thiocyanate molecules form the equatorial plane, while two coordinated water molecules are in axial positions. The crystal structure is consolidated by extensive hydrogen bonding, forming a two-dimensional network.http://scripts.iucr.org/cgi-bin/paper?dn2330 Bis(5-amino-4-aminocarbonyl-1H-imidazol-3-ium) (5-amino-4-aminocarbonyl-1H-imidazol-3-ium-O)-di--chlorido-heptachlorido-dibismuth(III) monohydrate- April 10, 2008 The title compound, (C4H7N4O)2Bi2Cl9(C4H7N4O)H2O, was prepared by the reaction of bismuth trichloride and 5-amino-1H-imidazole-4-carboxamide in a dilute HCl medium. The asymmetric unit contains two 5-amino-4-aminocarbonyl-1H-imidazol-3-ium cations, one edge-shared non-centrosymmetric bioctahedral Bi2C19(C4H7N4O)2 dianion and a water molecule. In the dianion, the planar 5-amino-4-aminocarbonyl-1H-imidazol-3-ium ligand occupies an equatorial site and is inclined at an angle of 75.7(2) to the...http://scripts.iucr.org/cgi-bin/paper?ci2573 Hexaaquacobalt(II) bis4-(2-hydroxybenzylideneamino)benzenesulfonate- April 10, 2008 In the cation of the title compound, Co(H2O)6(C13H10NO4S)2, the Co atom lies on a centre of symmetry and its coordination geometry is octahedral. The crystal structure is stabilized by wateranion OH...O hydrogen bonds. An intramolecular OH...N hydrogen bond occurs in the anion.http://scripts.iucr.org/cgi-bin/paper?at2558 (3,5-Dichlorosalicylaldehyde thiosemicarbazonato-3S,N1,O)(N,N-dimethylformamide-O)copper(II) dimethylformamide solvate- April 10, 2008 In the title compound, Cu(C8H5Cl2N3OS)(C3H7NO)C3H7NO, the CuII atom is coordinated in a slightly distorted square-planar geometry by an O, an S and an N atom from the tridentate ligand 3,5-dichlorosalicylaldehyde thiosemicarbazonate ligand and one O atom from dimethylformamide. At the same time, the Cu atom is in contact with S and Cl atoms from another two complexes Cu...S and Cu...Cl = 2.9791(2) and 3.3800(3), respectively, thereby forming a 4+2 coordination geometry. The crystal structure...http://scripts.iucr.org/cgi-bin/paper?om2219 (Di-2-pyridylamine-2N1,N1)bis(methacrylato-O)nickel(II) sesquihydrate- April 10, 2008 In the title mononuclear complex, Ni(C4H5O2)2(C10H9N3)1.5H2O, the NiII ion is in a distorted square-planar coordination environment, formed by two O atoms from two methacrylate ligands and two N atoms from a bis-chelating dipyridylamine ligand. In the crystal structure, intermolecular OH...O and NH...O hydrogen bonds link complex molecules and water molecules into one-dimensional chains.http://scripts.iucr.org/cgi-bin/paper?lh2600 Bis2-methoxy-6-3-(methylamino)propyliminomethylphenolatonickel(II) bis(perchlorate)- April 10, 2008 The asymmetric unit of the title compound, Ni(C12H18N2O2)2(ClO4)2, consists of one-half of a centrosymmetric mononuclear Schiff base nickel(II) complex cation and one perchlorate anion. The NiII ion, lying on the inversion center, is coordinated by two N atoms and two O atoms from two Schiff base ligands, forming a square-planar geometry. The crystal packing is stabilized by NH...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?ci2578 2-(1H-Tetrazol-5-yl)benzonitrile- April 10, 2008 The title compound, C8H5N5, was synthesized from phthalonitrile. The benzonitrile and tetrazole rings are inclined at a dihedral angle of 37.14(11). In the crystal structure, intermolecular NH...N hydrogen bonds link the tetrazole rings of adjacent molecules, forming chains along the a axis.http://scripts.iucr.org/cgi-bin/paper?sj2471 2-Acetyl-3-methylpyrazine phenylsulfonylhydrazone- April 10, 2008 In the title compound, C13H14N4O2S, the dihedral angle between the aromatic rings is 55.42(14). In the crystal structure, an NH...O hydrogen bond leads to chains of molecules along 001.http://scripts.iucr.org/cgi-bin/paper?hb2717 2,2,2-Trichloro-N-(2,5-dimethylphenyl)acetamide- April 10, 2008 The NH bond in the title compound, C10H10Cl3NO, is syn to the 2-methyl and anti to the 5-methyl substituent of the aromatic ring. Adjacent molecules are linked into chains through NH...O hydrogen bonding. Two Cl atoms are each disordered equally over two sites.http://scripts.iucr.org/cgi-bin/paper?ng2441 Eplerenone ethanol solvate- April 10, 2008 Eplerenone systematic name: 7-(methoxycarbonyl)-3-oxo-9,11-epoxy-17-pregn-4-ene-21,17-carbolactone, an aldosterone receptor antagonist, crystallizes from ethanol as a monosolvate, C24H30O6C2H6O. The eplerenone molecule has two five-membered rings, three six-membered rings and one three-membered ring. Both five-membered rings display envelope conformations, while the three six-membered rings assume envelope (cyclohexene), half-chair (cyclohexane sharing one edge with epoxy) and chair (other...http://scripts.iucr.org/cgi-bin/paper?ng2439 |