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...Tetraaquabis(pyridine-3-sulfonato-N)nickel(II)- April 16, 2008 In the molecule of the title compound, Ni(C5H4NO3S)2(H2O)4, the NiII cation is located on an inversion center and is coordinated by four water molecules and two pyridine-3-sulfonate anions with an NiN2O4 distorted octahedral geometry. The face-to-face separation of 3.561(5) between parallel pyridine rings indicates the existence of weak stacking between the pyridine rings. The structure also contains intermolecular OH...O hydrogen bonding and weak CH...O hydrogen bonding.http://scripts.iucr.org/cgi-bin/paper?om2227 (2-Formyl-6-methoxyphenolato-2O1,O2)(perchlorato-O)(1,10-phenanthroline-2N,N)copper(II)- April 16, 2008 In the title molecule, Cu(C8H7O3)(ClO4)(C12H8N2), the CuII ion is five-coordinated by two N atoms CuN = 1.995(3) and 2.022(3) from a 1,10-phenanthroline ligand, two O atoms CuO = 1.908(2) and 1.927(2) from an o-vanillin ligand and one O atom CuO = 2.510(3) from a perchlorate anion in a distorted square-pyramidal geometry. Three O atoms of the perchlorate anion are rotationally disordered between two orientations, with occupancies of 0.525(13) and 0.475(13). In the crystal structure, two...http://scripts.iucr.org/cgi-bin/paper?cv2393 (2,2-Bipyridyl-2N,N)tetrakis(4-methylbenzoato-O)manganese(II)- April 16, 2008 In the title mononuclear complex, Mn(C8H7O2)4(C10H8N2), the MnII atom lies on a twofold rotation axis and has a distorted octahedral coordination geometry defined by four O atoms from four 4-methylbenzoate ligands and two N atoms from one 2,2-bipyridyl ligand. The crystal structure is stabilized by intermolecular hydrogen bonds and stacking interactions the centroidcentroid distance between the parallel pyridyl ring of a 2,2-bipyridyl and benzene ring of a 4-methylbenzoic group of a...http://scripts.iucr.org/cgi-bin/paper?bg2175 4-3-(Chloromethyl)-1,2,4-oxadiazol-5-ylpyridine. Corrigendum- April 16, 2008 The title and the chemical diagram of the paper by Kang, Li, Zeng, Wang & Wang Acta Cryst. (2007), E63, o4654 are corrected.http://scripts.iucr.org/cgi-bin/paper?hb9625 2-(3,5-Dichloro-2-oxidobenzylidene)amino-2N,O-3-methylpentanoato-O(N,N-dimethylformamide-O)copper(II)- April 16, 2008 In the title compound, Cu(C13H13Cl2NO3)(C3H7NO), the CuII atom is coordinated in a slightly distorted square-planar geometry by two O atoms and one N atom from the tridentate chiral ligand 2-(3,5-dichloro-2-oxidobenzylidene)amino-3-methylpentanoate and by one O atom from dimethylformamide. In the crystal structure, the Cu atom forms contacts with Cl and O atoms of two units (Cu...Cl and Cu...O = 3.401 and 2.947, respectively), thereby forming an approximately octahedral arrangement. A...http://scripts.iucr.org/cgi-bin/paper?gw2039 8-Methyl-5-methylene-2-oxotricyclo5.3.1.13,9dodecan-endo-8-ol- April 16, 2008 The title compound, C14H20O2, crystallizes with homochiral chains of molecules hydrogen bonded together along the b axis. Adjacent chains in the ab plane contain molecules of the same chirality, leading to a chiral segregation of the molecules into layers.http://scripts.iucr.org/cgi-bin/paper?hg2391 catena-Polytetraaqua(-4,4-bipyridine-2N:N)zinc(II) fumarate tetrahydrate- April 16, 2008 In the title compound, Zn(C10H8N2)(H2O)4(C4H2O4)4H2On, the ZnII atom is coordinated by two N atoms from two -4,4-bipyridine ligands and four water molecules in a distorted octahedral geometry. The coordination unit is extended through the ZnN bond, leading to a one-dimensional cationic chain. A twofold rotation axis passes through the Zn atom and along the axis of the 4,4-bipyridine ligand. Each uncoordinated water molecule acts as both hydrogen-bond donor and acceptor. A three-dimensional...http://scripts.iucr.org/cgi-bin/paper?hy2122 Bis(2-pyridylmethyl)(triisopropylsilyl)amidozinc(II)toluenetetrahydrofuran (421)- April 16, 2008 The transamination reaction of (2-pyridylmethyl)(triisopropylsilyl)amine with bisbis(trimethylsilyl)amidozinc(II) yields the colorless title solvate, Zn(C15H27N2Si)20.5C7H80.25C4H8O. The title compound was crystallized from toluene and tetrahydrofuran. There are two independent molecules in the asymmetric unit. In each molecule, the Zn atom is tetrahedrally coordinated by four N atoms. The two molecules differ in the orientation of the isopropyl groups. The molecules show large NZnN angles...http://scripts.iucr.org/cgi-bin/paper?fj2104 2,6-Dichlorophenyl 4-methylbenzoate- April 16, 2008 The structure of the title compound (26DCP4MeBA), C14H10Cl2O2, resembles those of phenyl benzoate (PBA), 2,6-dichlorophenyl benzoate (26DCPBA), 2,4-dichlorophenyl 4-methylbenzoate (24DCP4MeBA) and other aryl benzoates, with similar bond parameters. The dihedral angle between the benzene and benzoyl rings in 26DCP4MeBA is 77.97(9), compared with values of 55.7 (PBA), 75.75(10) (26DCPBA) and 48.13(5) (24DCP4MeBA). The molecules in the title compound are packed into zigzag chains in the bc plane.http://scripts.iucr.org/cgi-bin/paper?om2223 Di--nicotinato-2N:O;2O:N-bisaqua(ethylenediamine-2N,N)(nicotinato-N)cadmium(II) dihydrate- April 16, 2008 The dinuclear molecule of the title compound, Cd2(C6H4NO2)4(C2H8N2)2(H2O)22H2O, lies on an inversion centre and forms 12-membered (CdNC3O)2 metallacycles with the two Cd2+ ions bridged by two nicotinate ligands. Both Cd2+ ions display coordination polyhedra with a distorted octahedral geometry that includes two pyridine N atoms from bridging and terminal nicotinate anions, two amine N atoms from chelating ethylenediamine ligands, carboxylate O atoms from bridging nicotinate anions and water O...http://scripts.iucr.org/cgi-bin/paper?zl2107 |