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Poly[[aqua-(?(5)-1H-benzimidazole-5,6-dicarboxyl-ato)(?(4)-1H-benzimidazole-5,6-dicarboxyl-ato)dibarium] 4.5-hydrate].

ABSTRACT: The polymeric title compound, {[Ba(2)(C(9)H(4)N(2)O(4))(2)(H(2)O)]·4.5H(2)O}(n), adopts a layer structure parallel to (001) in which adjacent Ba(II) atoms are connected by two benzimidazole-5,6-dicarboxyl-ate dianions, one functioning in a ?(4)-bridging mode and the other in a ?(5)-bridging mode. The Ba atom having water in its coordination environment as well as the Ba atom without water exist in a nine-coordinate polyhedron of O atoms; the geometry is difficult to derive. Lattice water mol-ecules occupy the space between layers and inter-act with the layers through O-H?O, O-H?N and N-H?O hydrogen bonds. ne of the five lattice water molecules is equally disordered around an inversion centre and shows half-occupancy.

SUBMITTER: Zhang HQ

PROVIDER: S-EPMC3120458 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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Poly[[aqua-(μ(5)-1H-benzimidazole-5,6-dicarboxyl-ato)(μ(4)-1H-benzimidazole-5,6-dicarboxyl-ato)dibarium] 4.5-hydrate].

Zhang Heng-Qiang HQ Zheng Xiu-Jun XJ Zhao Chun-Xiang CX Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

The polymeric title compound, {[Ba(2)(C(9)H(4)N(2)O(4))(2)(H(2)O)]·4.5H(2)O}(n), adopts a layer structure parallel to (001) in which adjacent Ba(II) atoms are connected by two benzimidazole-5,6-dicarboxyl-ate dianions, one functioning in a μ(4)-bridging mode and the other in a μ(5)-bridging mode. The Ba atom having water in its coordination environment as well as the Ba atom without water exist in a nine-coordinate polyhedron of O atoms; the geometry is difficult to derive. Lattice water mol-ecu ...[more]

PMID: 21754581

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Poly[(?-1H-benzimidazole-5,6-dicarboxyl-ato)lead(II)].

Project description:The crystal structure of the two-dimensional polymeric title compound, [Pb(C(9)H(4)N(2)O(4))](n), comprises one crystallo-graphic-ally independent Pb(II) atom and one fully deprotonated 1H-benzimidazole-5,6-dicarboxyl-ate (H(2)L) ligand. The Pb(II) atom is seven-coordinated by six O atoms and one N atom from the H(2)L ligands, giving a capped octa-hedral coordination geometry. The structure is a layered two-dimensional coordination polymer extending parallel to (100) with N-H?O hydrogen bonds inter-actions between the layers, stabilizing the crystal structure.

| S-EPMC3120506 | biostudies-literature

Poly[?(2)-aqua-aqua-(?(3)-1H-benzimidazole-5,6-dicarboxyl-ato-?N:O:O)manganese(II)].

Project description:In the title complex, [Mn(C(9)H(4)N(2)O(4))(H(2)O)(2)](n), the Mn(II) atom is in a distorted octa-hedral coordination completed by one N atom from one 1H-benzimidazole-5,6-dicarboxyl-ate ligand, two O atoms from two different 1H-benzimidazole-5,6-dicarboxyl-ate ligands, and three O atoms from three water mol-ecules. Two bridging water mol-ecules and two bridging carboxyl-ate groups from a 1H-benzimidazole-5,6-dicarboxyl-ate ligand connect two Mn(II) ions into a dimeric structure. In the crystal, extensive inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonding forms a three-dimensional network.

| S-EPMC2979272 | biostudies-literature

Poly[[(?-1H-benzimidazole-5,6-dicarboxyl-ato)zinc(II)] monohydrate].

Project description:The three-dimensional polymeric title compound, {[Zn(C(9)H(4)N(2)O(4))]·H(2)O}(n), contains one crystallographically independent Zn(II) atom, one fully deprotonated 1H-benzimid-azole-5,6-dicarboxyl-ate (bdc) ligand and one uncoordinated water mol-ecule. The Zn(II) atom is four-coordinated by three O atoms and one N atom from the bdc ligands, giving a distorted tetra-hedral coordination geometry. The uncoordinated water mol-ecule is bound to the main structure through a strong bdc-water N-H?O hydrogen bond, and two much weaker water-bdc O-H?O inter-actions.

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Penta-aqua-(1H-benzimidazole-5,6-dicarboxyl-ato-?N)nickel(II) penta-hydrate.

Project description:In the title mononuclear complex, [Ni(C(9)H(4)N(2)O(4))(H(2)O)(5)]·5H(2)O, the Ni(II) atom is six-coordinated by one N atom from a 1H-benzimidazole-5,6-dicarboxyl-ate ligand and by five O atoms from five water mol-ecules and displays a distorted octa-hedral geometry. Inter-molecular O-H?O hydrogen-bonding inter-actions among the coordinated water mol-ecules, solvent water mol-ecules and carboxyl O atoms of the organic ligand and additional N-H?O hydrogen bonding lead to the formation of a three-dimensional supra-molecular network.

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Poly[(acetato-?O,O')aqua-(?(4)-1H-benzimidazole-5,6-dicarboxyl-ato-?N:O,O:O,O:O)praseodymium(III)].

Project description:In the title complex, [Pr(C(9)H(4)N(2)O(4))(C(2)H(3)O(2))(H(2)O)](n), the Pr(III) ion is coordinated by five O atoms and one N atom from four benzimidazole-5,6-dicarboxyl-ate ligands, two O atoms from an acetate ligand and one water mol-ecule, giving a tricapped trigonal-prismatic geometry. The benzimidazole-5,6-dicarboxyl-ate and acetate ligands connect the Pr(III) ions, forming a layer in the ac plane; the layers are further linked by N-H?O and O-H?O hydrogen bonding and ?-? stacking inter-actions between neighboring pyridine rings [the centroid-centroid distance is 3.467?(1)?Å], assembling a three-dimensional supra-molecular network. The acetate methyl group is disordered over two positions with site-occupancy factors of 0.75 and 0.25.

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catena-Poly[[[diaqua-iron(II)]-μ-pyridine-2,5-dicarboxyl-ato-[tetra-aqua-iron(II)]-μ-pyridine-2,5-dicarboxyl-ato] tetra-hydrate].

Project description:In the crystal structure of the title compound, {[Fe(2)(C(7)H(3)NO(4))(2)(H(2)O)(6)]·4H(2)O}(n), there are two types of coordination for the Fe(II) atoms. One Fe(II) atom is in a distorted octa-hedral N(2)O(4) environment, with two chelating rings from the pyridine-dicarboxyl-ate ligands and two O atoms from the water mol-ecules, while the other is in a distorted octa-hedral O(6) environment with two O atoms from the pyridine-dicarboxyl-ate ligands and four O atoms from the water mol-ecules. Both Fe(II) atoms lie on crystallographic centers of symmetry. The complex possesses an infinite chain structure running along the [101] direction. These chains are inter-connected by the uncoordinated water mol-ecules through O-H⋯O hydrogen bonds.

| S-EPMC2960407 | biostudies-literature

Poly[[aqua-(?(4)-1H-benzimidazole-5,6-dicarboxyl-ato-?N:O:O:O)(N,N-dimethyl-formamide-?O)cadmium(II)] dihydrate].

Project description:In the title compound, {[Cd(C(9)H(4)N(2)O(4))(C(3)H(7)NO)(H(2)O)]·2H(2)O}(n), the Cd(II) atom is coordinated by one N atom and three O atoms from four different 1H-benzimidazole-5,6-dicarboxyl-ate (Hbidc) ligands, one O atom from one dimethyl-formamide ligand, and one O atom from a water mol-ecule in a distorted octa-hedral geometry. The Hbidc ligands connect the Cd atoms into a two-dimensional network parallel to (001). N-H?O and O-H?O hydrogen bonds involving the water molecules are observed in the crystal structure.

| S-EPMC2979735 | biostudies-literature

Poly[diaqua-(?(3)-1H-benzimidazole-5,6-dicarboxyl-ato-?N:O,O:O)magnesium(II)].

Project description:In the title complex, [Mg(C(9)H(4)N(2)O(4))(H(2)O)(2)](n), the Mg(II) atom is six-coordinated by one N and three O atoms from three different 1H-benzimidazole-5,6-dicarboxyl-ate ligands and two O atoms from two water mol-ecules, forming a slightly distorted octa-hedral geometry. The ligand links the Mg(II) centres into a three-dimensional network. Extensive N-H?O and O-H?O hydrogen bonds exist between the ligands and water mol-ecules, stabilizing the crystal structure.

| S-EPMC2979947 | biostudies-literature

Aqua-(1H-benzimidazole-?N)(pyridine-2,6-dicarboxyl-ato-?O,N,O)copper(II) 0.75-hydrate.

Project description:The title complex, [Cu(C(7)H(3)NO(4))(C(7)H(6)N(2))(H(2)O)]·0.75H(2)O, consists of discrete monomeric units. The Cu(II) atom is coordinated by two carboxyl-ate O atoms and the N atom from a dipicolinate unit and by an N atom from a benzimidazole ligand. The distorted square-pyramidal geometry is completed by a longer axial bond to the O atom of a water mol-ecule. The mol-ecular structure and packing are stabilized by classical O-H?O and N-H?O hydrogen bonds, also including a disordered crystal water molecule.

| S-EPMC2979051 | biostudies-literature

Poly[[diaqua-(?(4)-1H-benzimidazole-5,6-dicarboxyl-ato)strontium] monohydrate].

Project description:Each of the carboxyl-ate -CO(2) fragments of the dianion ligand in the title compound, {[Sr(C(9)H(4)N(2)O(4))(H(2)O)(2)]·H(2)O}(n), chelates to a Sr(II) atom and at the same time, one of the two O atoms coordinates to a third Sr(II) atom. The ?(4)-bridging mode of the dianion generates a square-grid layer motif; adjacent layers are connected by O-H?O, O-H?N and N-H?O hydrogen bonds, forming a three-dimensional network. The eight-coordinate Sr atom exists in a distorted square-anti-prismatic geometry. The crystal studied was a non-merohedral twin with a minor twin component of 24%.

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