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 cobalt(II) coordination polymer with an unusual four-connected 42.63.8 topology- June 28, 2008 In the cobalt(II) coordination polymer poly(2-benzene-1,3-dicarboxylato)2-1,1-2,2-oxybis(ethane-2,1-diyl)di-1H-imidazolecobalt(II) monohydrate, Co(C10H14N4O)(C8H4O4)H2On, two crystallographically distinct CoII cations are four-coordinated by N2O2 donor sets in distorted tetrahedral geometries. The CoII centers are connected by benzene-1,3-dicarboxylate (m-BDC) anions, giving two types of linear chains, which are further joined via meso-helical 1,1-2,2-oxybis(ethane-2,1-diyl)di-1H-imidazole...http://scripts.iucr.org/cgi-bin/paper?fa3149 Favoured conformations of methyl isopropyl, ethyl isopropyl, methyl tert-butyl, and ethyl tert-butyl 2-(triphenylphosphoranylidene)malonate- June 28, 2008 The conformations of organic compounds determined in the solid state are important because they can be compared with those in solution andor from theoretical calculations. In this work, the crystal and molecular structures of four closely related diesters, namely methyl isopropyl 2-(triphenylphosphoranylidene)malonate, C25H25O4P, ethyl isopropyl 2-(triphenylphosphoranylidene)malonate, C26H27O4P, methyl tert-butyl 2-(triphenylphosphoranylidene)malonate, C26H27O4P, and ethyl tert-butyl...http://scripts.iucr.org/cgi-bin/paper?av3152 LiBaAlF6 and the crystal chemistry of LiAIIBIIIF6 phases- June 28, 2008 Lithium barium hexafluoroaluminate (LBAF), LiBaAlF6, is a new member of the large family of compounds of formula LiAIIBIIIF6. These materials display a variety of structures depending on the sizes of the A and B cations. LiBaAlF6, which is isomorphous with LiBaCoF6, belongs to the monoclinic P21c subset and has a three-dimensional network structure consisting of distorted LiF43 tetrahedra corner-sharing with AlF63 octahedra and BaF12 polyhedra. All of the atoms reside on general positions. An...http://scripts.iucr.org/cgi-bin/paper?sq3143 Two isomorphous ZnIICoII complexes with tri-tert-butoxysilanethiol and histamine, and (4-hydroxymethyl-1H-imidazole-N)bis(tri-tert-butoxysilanethiolat- June 21, 2008 The complexes 2-(1H-imidazol-4-yl-N3)ethylamine-Nbis(tri-tert-butoxysilanethiolato-S)cobalt(II), Co(C12H27O3SSi)2(C5H9N3), and 2-(1H-imidazol-4-yl-N3)ethylamine-Nbis(tri-tert-butoxysilanethiolato-S)zinc(II), Zn(C12H27O3SSi)2(C5H9N3), are isomorphous. The central ZnIICoII ions are surrounded by two S atoms from the tri-tert-butoxysilanethiolate ligand and by two N atoms from the chelating histamine ligand in a distorted tetrahedral geometry, with two intramolecular NH...O hydrogen-bonding...http://scripts.iucr.org/cgi-bin/paper?ga3092 Low-temperature study of 3-acetylindole at 110K- June 21, 2008 The title compound, C10H9NO, contains an acetyl group that is nearly coplanar with the indole ring system, with an angle between the planes of the heterocyclic ring and the acetyl group of 1.75(17). The planes of the benzene and pyrrole rings in the indole system make a dihedral angle of 2.05(11). Each molecule in the unit cell is linked through NH...O hydrogen bonds to two other molecules, forming hydrogen-bonded chains in the 101 direction with graph set C(6). The significance of this study...http://scripts.iucr.org/cgi-bin/paper?sk3245 Two novel mixed-ligand complexes containing organosulfonate ligands- June 21, 2008 The structures reported herein, viz. bis(4-aminonaphthalene-1-sulfonato-O)bis(4,5-diazafluoren-9-one-2N,N)copper(II), Cu(C10H8NO3S)2(C11H6N2O)2, (I), and polydiaquacadmium(II)-bis(-4-aminonaphthalene-1-sulfonato)-2O:N;2N:O dihydrate, Cd(C10H8NO3S)2(H2O)22H2On, (II), are rare examples of sulfonate-containing complexes where the anion does not fulfill a passive charge-balancing role, but takes an active part in coordination as a monodentate andor bridging ligand. Monomeric complex (I) possesses a.http://scripts.iucr.org/cgi-bin/paper?bg3074 Copper(II) bromide and copper(II) acetate complexes of 4,4-(p-phenylene)bipyridazine- June 21, 2008 4,4-(p-Phenylene)bipyridazine, C14H10N4, (I), and the coordination compounds catena-polydibromidocopper(II)--4,4-(p-phenylene)bipyridazine-2N2:N2, CuBr2(C14H10N4)n, (II), and catena-polytetrakis(-acetato-2O:O)dicopper(II)--4,4-(p-phenylene)bipyridazine-2N1:N1 chloroform disolvate, Cu2(C2H3O2)4(C14H10N4)2CHCl3n, (III), contain a new extended bitopic ligand. The combination of the p-phenylene spacer and the electron-deficient pyridazine rings precludes CH... interactions between the lengthy...http://scripts.iucr.org/cgi-bin/paper?hj3079 The first coordination polymer of lanthanum(III) with a naphthalene-1,4,5,8-tetracarboxylic 1,8-anhydride derivative- June 21, 2008 The title compound, catena-polyheptaaqualanthanum(III)--1,3-dioxo-2-oxa-1H,3H-phenalene-6,7-dicarboxylato-2O6:O7 hemi(4,8-dicarboxynaphthalene-1,5-dicarboxylate) dihydrate, La(C14H4O7)(H2O)7(C14H6O8)0.52H2On, is a dihydrate of a coordination polymer between the dianion of naphthalene-1,4,5,8-tetracarboxylic 1,8-anhydride and the heptahydrated lanthanum(III) ion, charge balanced by an additional 4,8-dicarboxynaphthalene-1,5-dicarboxylate dianion that is located on an inversion centre and is not..http://scripts.iucr.org/cgi-bin/paper?gd3220 A new type of mixed anionic framework in microporous rubidium copper vanadyl(V) phosphate, Rb2Cu(VO2)2(PO4)2- June 21, 2008 In dirubidium copper bisvanadyl(V) bis(phosphate), Rb2Cu(VO2)2(PO4)2, three different oxo complexes form an anionic framework. VO5 polyhedra in a trigonal bipyramidal configuration and PO4 tetrahedra share vertices to form eight-membered rings, which lie in layers perpendicular to the a axis of the monoclinic unit cell. Cu atoms at centres of symmetry have square-planar coordination and link these layers along 100 to form a three-dimensional anionic framework, viz. Cu(VO2)2(PO4)22. Intersecting.http://scripts.iucr.org/cgi-bin/paper?fa3147 2-(3-Hydroxypropyl)isoindoline-1,3-dione: competition among hydrogen-bond acceptors- June 21, 2008 The title compound, C11H11NO3, has two molecules in the asymmetric unit, which differ in the orientation of their side-chain OH groups, allowing them to form intermolecular OH...O hydrogen bonds to different acceptors. In one case, the acceptor is the OH group of the other molecule, and in the other case it is an imide O=C group. This is the first example in the N-substituted phthalimide series in which independent molecules have different types of acceptor. Molecular-orbital calculations place.http://scripts.iucr.org/cgi-bin/paper?hj3075 |