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Catena-Poly[[[tetra-aqua-zinc(II)]-?-1,4-bis-(1,2,4-triazol-1-yl)butane-?N:N] biphenyl-4,4'-dicarboxyl-ate].

ABSTRACT: The asymmetric unit of the polymeric title compound, {[Zn(C(8)H(12)N(6))(H(2)O)(4)](C(14)H(8)O(4))}(n) or {[Zn(BTB)(H(2)O)(4)](BPDC)}(n) [BTB is 1,4-bis-(1,2,4-triazol-1-yl)butane and H(2)BPDC is biphenyl-4,4'-dicarb-oxy-lic acid], contains half a [Zn(BTB)(H(2)O)(4)](2+) cation and half a BPDC anion, both ions lying about a crystallographic inversion centre. The crystal structure consists of zigzag polymeric cationic chains parallel to the c axis and uncoordinated anions linked into a three-dimensional supra-molecular architecture by O-H?O, C-H?O hydrogen bonds and C-H?? inter-actions.

SUBMITTER: Jiao CM

PROVIDER: S-EPMC3009203 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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catena-Poly[[[tetra-aqua-zinc(II)]-μ-1,4-bis-(1,2,4-triazol-1-yl)butane-κN:N] biphenyl-4,4'-dicarboxyl-ate].

Jiao Chang-Mei CM

Acta crystallographica. Section E, Structure reports online 20101013 Pt 11

The asymmetric unit of the polymeric title compound, {[Zn(C(8)H(12)N(6))(H(2)O)(4)](C(14)H(8)O(4))}(n) or {[Zn(BTB)(H(2)O)(4)](BPDC)}(n) [BTB is 1,4-bis-(1,2,4-triazol-1-yl)butane and H(2)BPDC is biphenyl-4,4'-dicarb-oxy-lic acid], contains half a [Zn(BTB)(H(2)O)(4)](2+) cation and half a BPDC anion, both ions lying about a crystallographic inversion centre. The crystal structure consists of zigzag polymeric cationic chains parallel to the c axis and uncoordinated anions linked into a three-dime ...[more]

PMID: 21588836

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catena-Poly[[[aqua-silver(I)]-μ-1,1'-(butane-1,4-di-yl)di-1H-imidazole-κN:N] hemi(biphenyl-4,4'-dicarboxyl-ate) dihydrate].

Project description:In the title compound, {[Ag(C(10)H(14)N(4))(H(2)O)](C(14)H(8)O(4))(0.5)·2H(2)O}(n), the Ag(I) ion is three-coordinated by two N atoms from two independent 1,1'-(butane-1,4-di-yl)di-1H-imidazole (BBI) ligands and one water O atom in a distorted T-shaped coordination geometry. The biphenyl-4,4'-dicarboxyl-ate (BPDC) dianions do not coordinate to Ag(I) ions but act as counter-ions. The Ag(I) ions are linked by BBI ligands, forming a zigzag chain. These chains are linked into a two-dimensional supra-molecular architecture by O-H⋯O hydrogen-bonding inter-actions between water mol-ecules and carboxyl-ate O atoms of the BPDC dianions.

| S-EPMC2971936 | biostudies-literature

catena-Poly[[tetra-aqua-[?(2)-1,4-bis-(1,2,4-triazol-1-yl)butane-?N:N]cadmium(II)] sulfate].

Project description:In the polymeric title compound, {[Cd(C(8)H(12)N(6))(H(2)O)(4)]SO(4)}(n), the Cd(II) atom is located on an inversion center and coordinated by four water mol-ecules and two 1,4-bis-(1,2,4-triazol-yl)butane ligands in a distorted CdO(4)N(2) octa-hedral geometry. The 1,4-bis-(1,2,4-triazol-yl)butane ligand is centrosymmetric, the mid-point of the central C-C bond being located on an inversion center. It links adjacent water-coordinated metal atoms into polymeric chains running along the c axis. Adjacent chains are linked by O-H?N hydrogen bonds. The S atom of the sulfate anion is located on a twofold rotation axis, thus the sulfate anion is equally disordered over two sites. The sulfate anion links with the polymeric chains via O-H?O hydrogen bonds, generating a three-dimensional supra-molecular network.

| S-EPMC3011647 | biostudies-literature

Dimethyl biphenyl-4,4'-dicarboxyl-ate.

Project description:The asymmetric unit of the title compound, C(16)H(14)O(4), consists of one half-mol-ecule of an essentially planar biphenyl-dicarboxylic acid ester, with the complete molecule generated by an inversion centre. The maximum deviation from a least-squares plane through all non-H atoms occurs for the peripheric methyl groups and amounts to 0.124?(2)?Å. The solid represents a typical mol-ecular crystal without classical hydrogen bonds. The shortest inter-molecular contacts do not differ significantly from the sum of the van der Waals radii of the atoms involved.

| S-EPMC2969505 | biostudies-literature

4,4'-Trimethyl-enedipiperidiniumbenzene-1,4-dicarboxyl-ate.

Project description:The hydro-thermal reaction of benzene-1,4-dicarboxylic acid and 4,4'-trimethyl-ene dipiperidine leads to the formation of the title compound, C(13)H(28)N(2) (2+)·C(8)H(4)O(4) (2-). The anion is located on a center of inversion whereas the cation is positioned on a twofold rotation axis. In the crystal structure, the anions and cations are linked by N-H⋯O and N-H⋯(O,O) hydrogen bonds.

| S-EPMC2970973 | biostudies-literature

Poly[[dodeca-aqua-(?(4)-benzene-1,4-dicarboxyl-ato)(?(2)-4,4'-bipyridine-?(2)N:N')dicerium(III)] bis-(benzene-1,4-dicarboxyl-ate)].

Project description:The asymmetric unit of the title compound, {[Ce(2)(C(8)H(4)O(4))(C(10)H(8)N(2))(H(2)O)(12)](C(8)H(4)O(4))(2)}(n), consists of half a Ce(III) cation, a quarter of a coordinated benzene-1,4-dicarboxyl-ate (bdc(2-)) dianion, a quarter of a 4,4'-bipyridine (bpy) mol-ecule, three water mol-ecules and a half of an uncoordinated benzene-1,4-dicarboxyl-ate dianion. The Ce(III) ion is located on a twofold rotation axis and exhibits a distorted trigonal prism square-face tricapped coordination geometry. The coordinated and uncoordinated bdc(2-) ions and the bpy mol-ecule lie about special positions of site symmetries 2/m, m and 2/m, respectively. The Ce(III) ions are bridged by the bdc(2-) and bpy ligands, giving a sheet structure parallel to the ac plane. The uncoordinated bdc(2-) dianion exists between the sheets and links the sheets by inter-molecular O-H?O hydrogen bonds between the uncoordinated bdc(2-) and coordinated water mol-ecules. A ?-? stacking inter-action between the uncoordinated bdc(2-) dianion and the bpy ligand [centroid-centroid distance = 3.750?(4)?Å] is also observed.

| S-EPMC3344367 | biostudies-literature

catena-Poly[[[tetra-aqua-cobalt(II)]-μ-4,4'-bipyridine-κN:N'] pyridine-3,5-dicarboxyl-ate trihydrate].

Project description:The crystal structure of the title compound, {[Co(C(10)H(8)N(2))(H(2)O)(4)](C(7)H(3)NO(4))·3H(2)O}(n), consists of Co(II) polymeric complex cations, uncoordinated pyridine-3,5-dicarboxyl-ate anions and lattice water mol-ecules. The Co(II) cation is coordinated by two N atoms from two 4,4'-bipyridine ligands and four water mol-ecules in a distorted octa-hedral geometry. The 4,4'-bipyridine ligands bridge Co cations, forming a polymeric chain running along the b axis. The two pyridine rings of the 4,4'-biyridine are twisted to each other by a dihedral angle of 8.95 (9)°. Extensive O-H⋯O hydrogen bonding network is present in the crystal structure.

| S-EPMC3151975 | biostudies-literature

Bis(2-hy-droxy-ethanaminium) biphenyl-4,4'-dicarboxyl-ate.

Project description:In the title compound, 2C(2)H(8)NO(+)·C(14)H(8)O(4) (2-), the dihedral angle between the benzene rings of the dianion is 9.95?(12)°. In the crystal, the cations and anions are linked via inter-molecular O-H?O and N-H?O hydrogen bonds, generating layers lying parallel to (001).

| S-EPMC3120332 | biostudies-literature

catena-Poly[[[tetra-aqua-zinc(II)]-?-4,4'-bipyridine-?N:N'] benzene-1,4-di-carboxyl-ate].

Project description:In the title compound, {[Zn(C(10)H(8)N(2))(H(2)O)(4)](C(8)H(4)O(4))}(n), the Zn(II) atoms, lying on a twofold rotation axis, are bridged by 4,4'-bipyridine ligands, resulting in a linear chain along the b axis. In the chain, the Zn(II) atom adopts a slightly distorted octa-hedral coordination geometry involving four water mol-ecules at the equatorial positions. The noncoordinated benzene-1,4-dicarboxyl-ate anion, which is also located on a twofold rotation axis, bridges adjacent chains through O-H?O hydrogen bonds, forming a three-dimensional supra-molecular network.

| S-EPMC2969229 | biostudies-literature

Hexaaqua-cobalt(II) 3,3'-dicarb-oxy-biphenyl-4,4'-dicarboxyl-ate.

Project description:In the crystal structure of the title compound, [Co(H(2)O)(6)](C(16)H(8)O(8)), both the cation and anion are centrosymmetric. The Co cation displays a CoO(6) octa-hedral geometry formed by six water mol-ecules. In the anion, the two carboxyl groups are oriented at dihedral angles of 4.8?(5) and 10.4?(7)° with respect to the benzene ring. Very strong O-H?O hydrogen bonds between the protonated and deprotonated carboxylate groups occur. Neighbouring cations and anions are connected through O-H?O hydrogen bonds into a three-dimensional supra-molecular structure.

| S-EPMC3007239 | biostudies-literature

Poly[aqua-[?(2)-1,1'-(butane-1,4-di-yl)diimidazole](?(2)-naphthalene-1,4-dicarboxyl-ato)nickel(II)].

Project description:In the title compound, [Ni(C(12)H(6)O(4))(C(10)H(14)N(4))(H(2)O)](n), the coordination polyhedron around each Ni(II) atom is a distorted cis-NiN(2)O(4) octa-hedron. The naphthalene-1,4-dicarboxyl-ate and 1,1'-(butane-1,4-di-yl)diimidazole ligands bridge the Ni centres to form a two-dimensional (4,4)-network, and O-H?O hydrogen bonds complete the structure.

| S-EPMC2960619 | biostudies-literature

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