Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Penta-aqua-(1H-benzimidazole-5,6-di-carboxyl-ato-?N)cobalt(II) penta-hydrate.

ABSTRACT: In the title mononuclear complex, [Co(C(9)H(4)N(2)O(4))(H(2)O)(5)]·5H(2)O, the Co(II) atom exhibits a distorted octa-hedral geometry involving an N atom of a 1H-benzimidazole-5,6-dicarboxyl-ate ligand and five water O atoms. A supra-molecular network is generated through inter-molecular O-H?O hydrogen-bonding inter-actions involving the coordinated and uncoordinated water mol-ecules and the carboxyl O atoms of the organic ligand. An inter-molecular N-H?O hydrogen bond is also observed.

SUBMITTER: Song WD

PROVIDER: S-EPMC2969642 | biostudies-other | 2009 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Penta-aqua-(1H-benzimidazole-5,6-di-carboxyl-ato-κN)cobalt(II) penta-hydrate.

Song Wen-Dong WD Wang Hao H Li Shi-Jie SJ Qin Pei-Wen PW Hu Shi-Wei SW

Acta crystallographica. Section E, Structure reports online 20090529 Pt 6

In the title mononuclear complex, [Co(C(9)H(4)N(2)O(4))(H(2)O)(5)]·5H(2)O, the Co(II) atom exhibits a distorted octa-hedral geometry involving an N atom of a 1H-benzimidazole-5,6-dicarboxyl-ate ligand and five water O atoms. A supra-molecular network is generated through inter-molecular O-H⋯O hydrogen-bonding inter-actions involving the coordinated and uncoordinated water mol-ecules and the carboxyl O atoms of the organic ligand. An inter-molecular N-H⋯O hydrogen bond is also observed. ...[more]

PMID: 21583056

Similar Datasets

Penta-aqua-(1H-benzimidazole-5,6-di-carboxyl-ato-?N)copper(II) penta-hydrate.

Project description:The title compound, [Cu(C(9)H(4)N(2)O(4))(H(2)O)(5)]·5H(2)O, contains one crystallographically independent Cu(II) atom and one 1H-benzimidazole-5,6-dicarboxyl-ate (bdc) ligand, along with five coordinated and five uncoordinated water mol-ecules. The Cu(II) atom is six-coordinated by one N atom from the bdc ligand and five O atoms from water mol-ecules, giving an octa-hedral coordination geometry. Hydrogen bonds link the mononuclear complex and uncoordinated water mol-ecules into a three-dimensional network.

| S-EPMC2961800 | biostudies-other

Tetra-aqua-bis-(1H-benzimidazole-5,6-di-carboxyl-ato-?N)cobalt(II) dimethyl-formamide disolvate dihydrate.

Project description:In the mononuclear title compound, [Co(C(9)H(4)N(2)O(4))(2)(H(2)O)(4)]·2C(3)H(7)NO·2H(2)O, the Co(II) atom, which lies on a center of inversion, is coordinated by four water mol-ecules and two N atoms from two two symmetry-related 1H-benzimidazole-5,6-dicarboxyl-ate ligands in a distorted octa-hedral geometry. The packing is governed by inter-molecular O-H?O and N-H?O hydrogen-bonding inter-actions.

| S-EPMC2971142 | biostudies-literature

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.

| S-EPMC2969820 | biostudies-other

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

Project description: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-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.

| S-EPMC3120458 | biostudies-literature

catena-Poly[[di-?-aqua-bis[aqua-cobalt(II)]]-bis(?(3)-1H-benzimidazole-5,6-dicarboxylato].

Project description:The title compound, [Co(2)(C(9)H(4)N(2)O(4))(2)(H(2)O)(4)](n), is a one-dimensional polymeric complex with bridging 1H-benzimidazole-5,6-dicarboxyl-ate and aqua ligands. The Co(II) cation has an octa-hedral coordination environment provided by an NO(5) donor set. Adjacent polymeric chains extended along the [100] direction are linked by O-H?O and N-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC2968675 | biostudies-literature

Di-?-acetato-?-aqua-bis-[acetatobis(1H-benzimidazole)cobalt(II)].

Project description:In the title compound, [Co(2)(C(2)H(3)O(2))(4)(C(7)H(6)N(2))(4)(H(2)O)], the half-mol-ecule in the asymmetric unit is completed by a crystallographic twofold rotation axis to give the full mol-ecule. The Co(II) ions are approximately octahedrally coordinated with a cis-N(2)O(4) coordination sphere. The compound features intra-molecular O-H?O hydrogen bonds between the non-bridging acetate groups and the bridging water mol-ecule, and inter-molecular N-H?O hydrogen bonds between the acetates and amine H atoms of the benzimidazoles which determine the mol-ecular packing in the crystal structure.

| S-EPMC2961362 | 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

Aqua-bis(1H-benzimidazole-2-carboxyl-ato-?O,N)zinc(II).

Project description:In the title compound, [Zn(C(8)H(5)N(2)O(2))(2)(H(2)O)], the Zn(II) ion is coordinated in each case by a carboxyl-ate O atom and an imidazole N atom from two different benzimidazole-2-carboxyl-ate (BIC) ligands and one water O atom in a trigonal-bipyramidal geometry. In the complex mol-ecule, the two benzimidazole planes are twisted, making a dihedral angle of 55.93?(11)°. The three-dimensional framework is organized by inter-molecular N-H?O hydrogen bonding and O-H?O inter-actions and ?-? inter-actions between adjacent benzimidazole rings [centroid-centroid distance = 3.586?(3)?Å].

| S-EPMC2979547 | biostudies-literature

Poly[[penta-aqua-(?(4)-pyridine-2,4,6-tri-carboxyl-ato)(?(3)-pyridine-2,4,6-tri-carboxyl-ato)diterbium(III)] mono-hydrate].

Project description:The three-dimensional title coordination polymer, {[Tb(2)(C(8)H(2)NO(6))(2)(H(2)O)(5)]·H(2)O}(n), was hydro-thermally synthesized by reacting the corresponding rare-earth salt with pyridine-2,4,6-tricarb-oxy-lic acid (H(3)ptc). There are two independent Tb(III) atoms in the structure, one of which is nine-coordinated, forming a monocapped NO(8) square-anti-prism and the other is eight-coordinated exhibiting a 4,4-bicapped NO(7) trigonal-prismatic environment. The complex units are inter-connected through the ptc(3-) anions acting in different coordination modes, resulting in a three-dimensional coordin-ation polymer. The crystal structure features extensive O-H?O hydrogen bonds.

| S-EPMC3414173 | biostudies-literature

Poly[[penta-aqua-(?(4)-pyridine-2,4,6-tri-carboxyl-ato)(?(3)-pyridine-2,4,6-tri-carboxyl-ato)disamarium(III)] mono-hydrate].

Project description:The asymmetric unit of the title compound, {[Sm(2)(C(8)H(2)NO(6))(2)(H(2)O)(5)]·H(2)O}(n), contains two independent Sm(III) ions, two pyridine-2,4,6-tricarboxyl-ate (ptc) ligands, five aqua ligands and one lattice water mol-ecule. One Sm(III) ion is nine-coordinated by one N and five O atoms from the three ptc ligands and three aqua ligands in a distorted monocapped square antiprismatic geometry, and the other is eight-coordinated by one N and five O atoms from three ptc ligands and two aqua ligands in a 4,4'-bicapped trigonal anti-prismatic geometry. The ptc ligands brigde the Sm(III) ions into a three-dimensional polymeric framework. Extensive O-H?O hydrogen bonding is observed in the crystal structure.

| S-EPMC3297243 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data