Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Aqua-bis-(4-chloro-benzoato)-?(2) O,O';?O-bis-(pyridine-?N)cobalt(II).

ABSTRACT: In the title compound, [Co(C7H4ClO2)2(C5H5N)2(H2O)], the Co(II) atom is six-coordinated by three O atoms from a bidentate and a monodentate 4-chloro-benzoate ligand, two N atoms from two pyridine ligands and a water O atom, giving a distorted octa-hedral geometry. In the crystal, the complex mol-ecules are connected by O-H?O hydrogen bonds and ?-? interactions between the benzene rings [centroid-centroid distance = 3.8924?(17)?Å] into a chain along [010]. Between adjacent chains, ?-? inter-actions occur between the pyridine rings [centroid-centroid distance = 3.898?(2)?Å], giving an overall two-dimensional architecture.

SUBMITTER: Chen YL

PROVIDER: S-EPMC3629487 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Aqua-bis-(4-chloro-benzoato)-κ(2) O,O';κO-bis-(pyridine-κN)cobalt(II).

Chen Ya-Li YL Zhang Chun-E CE Fei Peng P Deng Chao C Su Bi-Tao BT

Acta crystallographica. Section E, Structure reports online 20130316 Pt 4

In the title compound, [Co(C7H4ClO2)2(C5H5N)2(H2O)], the Co(II) atom is six-coordinated by three O atoms from a bidentate and a monodentate 4-chloro-benzoate ligand, two N atoms from two pyridine ligands and a water O atom, giving a distorted octa-hedral geometry. In the crystal, the complex mol-ecules are connected by O-H⋯O hydrogen bonds and π-π interactions between the benzene rings [centroid-centroid distance = 3.8924 (17) Å] into a chain along [010]. Between adjacent chains, π-π inter-actio ...[more]

PMID: 23634005

Similar Datasets

Tetra-aqua-bis-(6-chloro-pyridine-3-carboxyl-ato-?O)cobalt(II) tetra-hydrate.

Project description:In the title compound, [Co(C(6)H(3)ClNO(2))(2)(H(2)O)(4)]·4H(2)O, the Co(II) cation is located on an inversion center and is coordinated by four water mol-ecules and two 6-chloro-pyridine-3-carboxyl-ate anions in a slightly distorted octa-hedral geometry. In the crystal, complex mol-ecules and lattice water mol-ecules are linked by O-H?O and O-H?N hydrogen bonds into a three-dimensional network.

| S-EPMC3515139 | biostudies-literature

Di-aqua-bis-(3-chloro-benzoato-?O)bis-(nicotinamide-?N (1))cobalt(II).

Project description:In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the Co(II) atom is located on an inversion center and is coordinated by two 3-chloro-benzoate (CB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 9.14?(9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 82.18?(8)°. In the crystal, N-H?O and O-H?O hydrogen bonds link the mol-ecules into a two-dimensional network lying parallel to (101). ?-? stacking between parallel pyridine rings of adjacent mol-ecules [centroid-centroid distance = 3.7765?(8)?Å] further stabilizes the crystal structure.

| S-EPMC3684906 | biostudies-other

Tetra-aqua-bis(pyridine-?N)cobalt(II) bis-[4-amino-N-(6-chloro-pyridazin-3-yl)benzene-sulfonamidate].

Project description:The structure of the title compound, [Co(C(5)H(5)N)(2)(H(2)O)(4)](C(10)H(8)ClN(4)O(2)S)(2), consists of a discrete tetra-aqua-bis(pyridine-?N)cobalt(II) cation and two 4-amino-N-(6-chloro-pyridazin-3-yl)benzene-sulfonamidate anions. In the cation, the Co(II) ion sits on an inversion centre and is octa-hedrally coordinated by two pyridine N atoms and four O atoms. A two-dimensional network parallel to (010) is formed via inter-molecular O-H?O, O-H?N, N-H?N and N-H?O hydrogen bonds.

| S-EPMC2971792 | biostudies-literature

Tetra-aqua-bis-[3-(pyridin-4-yl)benzoato-?N]cobalt(II).

Project description:In the title compound, [Co(C(12)H(8)NO(2))(2)(H(2)O)(4)], the Co atom lies on a twofold rotation axis and has an N(2)O(4) octa-hedral coordination environment formed by four O atoms of water mol-ecules in the equatorial plane and two apical N atoms of pyridine groups. An intricate three-dimensional supra-molecular network is formed by multiple O-H?O hydrogen bonds between the coordinated water mol-ecules and the uncoordinated carboxyl-ate groups.

| S-EPMC3238651 | biostudies-literature

Tetra-aqua-bis-[4-(pyrazin-2-ylsulfanylmethyl-?N)benzoato]cobalt(II).

Project description:In the title compound, [Co(C(12)H(9)N(2)O(2)S)(2)(H(2)O)(4)], the Co(II) ion, lying on an inversion center, has an octa-hedral coordination involving two N atoms of two 4-(pyrazin-2-ylsulf-anylmeth-yl)benzoate ligands and four water mol-ecules. In the crystal, O-H?O hydrogen bonds between the coordinated water mol-ecules and uncoordinated carboxyl-ate O atoms, and weak ?-? inter-actions [centroid-centroid distance = 4.105?(2)?Å] between the benzene and pyrazine rings lead to a three-dimensional supra-molecular network.

| S-EPMC2983328 | biostudies-literature

Tetra-aqua-bis(4-formyl-benzoato-?O)cobalt(II) tetra-hydrate.

Project description:The Co(II) atom in the title compound, [Co(C(8)H(5)O(3))(2)(H(2)O)(4)]·4H(2)O, which exists in an all-trans octa-hedral coordination geometry, lies on a center of inversion. The coordinated and uncoordinated water mol-ecules engage in extensive hydrogen-bonding inter-actions, forming a three-dimensional hydrogen-bonded network.

| S-EPMC2960768 | biostudies-literature

Aqua-bis-[4-(methyl-sulfan-yl)benzoato-?O]bis-(pyridine-?N)copper(II).

Project description:In the title mol-ecule, [Cu(C(8)H(7)O(2)S)(2)(C(5)H(5)N)(2)(H(2)O)], the Cu(II) ion is penta-coordinated in a distorted square-pyramidal geometry by two O atoms of two 4-(methyl-sulfan-yl)benzoate anions and two N atoms of two pyridine ligands and a water O atom situated at the apical site. In the crystal structure, O-H?O hydrogen bonds link mol-ecules into chains along the b axis.

| S-EPMC2983350 | biostudies-literature

Aqua-bis(4-methyl-benzoato)-?O;?O,O'-bis-(pyridine-?N)nickel(II).

Project description:In the title mononuclear complex, [Ni(C(8)H(7)O(2))(2)(C(5)H(5)N)(2)(H(2)O)], the Ni(II) atom is in a distorted octa-hedral arrangement, coordinated by three carboxylate O atoms from one bidentate 4-methyl-benzoate ligand and one monodentate 4-methyl-benzoate ligand, two N atoms from pyridine ligands, axially positioned, and a water mol-ecule. The equatorially positioned water mol-ecule and uncoordinated carb-oxylate O atom form an intra-molecular hydrogen bond. An inter-molecular O-H?O hydrogen bond between the coordinated water mol-ecule and carboxylate O atom of the 4-methyl-benzoate ligand forms infinite chains along the b axis. These chains are connected by C-H?? inter-actions.

| S-EPMC2961051 | biostudies-literature

Diaqua-bis-(2-chloro-benzoato-?O)bis-(nicotinamide-?N (1))cobalt(II).

Project description:In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the Co(II) cation is located on an inversion center and is coord-inated by two 2-chloro-benzoate anions, two nicotin-amide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Co(II) cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 29.7?(4)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.17?(15)°. Intra-molecular O-H?O hydrogen bonding occurs between the carboxyl-ate group and coordinating water mol-ecule. In the crystal, inter-molecular N-H?O, O-H?O and weak C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3588457 | biostudies-literature

Tetra-?-aqua-octaaqua-bis(?-4-chloro-pyridine-2,6-dicarboxyl-ato)bis-(4-chloro-pyridine-2,6-dicarboxyl-ato)tri-cobalt(II)disodium(I) bis-[triaqua-bis(4-chloro-pyridine-2,6-dicarboxyl-ato)cobalt(II)] hexa-hydrate.

Project description:The title compound, [Co(3)Na(2)(C(7)H(2)ClNO(4))(4)(H(2)O)(12)][Co(C(7)H(2)ClNO(4))(H(2)O)(3)](2)·6H(2)O, consists of a centrosymmetric dimer of [Co(II)(dipicCl)(2)](2-) complex dianions [dipicCl is 4-chloro-pyridine-2,6-dicarboxyl-ate] bridged by an [Na(2)Co(II)(H(2)O)(12)](4+) tetra-cationic cluster, two independent [Co(dipicCl)(H(2)O)(3)] complexes, and six water mol-ecules of crystallization. The metals are all six-coordinate with distorted octahedral geometries. The [Co(II)(dipicCl)(H(2)O)(3)] complexes are neutral, with one tridentate ligand and three water molecules. The [Co(II)(dipicCl)(2)](2-) complexes each have two tridentate ligands. The [Na(2)Co(II)(H(2)O)(12)](4+) cluster has a central Co(II) ion which is coordinated to six water molecules and lies on a crystallographic inversion center. Four of the water molecules bridge to two sodium ions, each of which have three other water molecules coordinated along with an O atom from the [Co(II)(dipicCl)(2)](2-) complex. In the crystal structure, the various units are linked by O-H?O hydrogen bonds, forming a three-dimensional network. Two water molecules are disordered equally over two positions.

| S-EPMC2915174 | biostudies-other

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