Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Deng ZP

PROVIDER: S-EPMC2960768 | biostudies-literature | 2008 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Deng Zhao-Peng ZP Gao Shan S Huo Li-Hua LH Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20080206 Pt 3

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. ...[more]

PMID: 21201844

Similar Datasets

Bis[tetra-aqua-(1,10-phenanthroline-?N,N')cobalt(II)] hexa-aqua-cobalt(II) bis-[3,5-bis-(carboxyl-atometh-oxy)benzoate] tetra-hydrate.

Project description:The title compound, [Co(C(12)H(8)N(2))(H(2)O)(4)](2)[Co(H(2)O)(6)](C(11)H(7)O(8))(2)·4H(2)O, was obtanied by the reaction of cobalt acetate with 3,5-bis-(carb-oxy-meth-oxy)benzoic acid and 1,10-phenanthroline. The asymmetric unit contains one tetra-aqua-(1,10-phenanthroline)cobalt(II) cation, one half of a hexa-aqua-cobalt(II) cation that is completed by inversion symmetry, one 3,5-bis-(carboxyl-atometh-oxy)benzoate trianion and two lattice water mol-ecules. The two Co(II) atoms each show a slightly distorted octa-hedral coordination (CoO(6) and CoO(4)N(2)). The cations, anions and lattice water mol-ecules are linked by an intricate network of O-H?O hydrogen bonds into a three-dimensional structure.

| S-EPMC3011475 | biostudies-literature

Tetra-aqua-bis(isonicotinamide-κN)cobalt(II) bis-(4-formyl-benzoate) dihydrate.

Project description:The asymmetric unit of the crystal structure of the title complex, [Co(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Co(II) ion located on an inversion center, a 4-formyl-benzoate (FB) counter-anion and an uncoordinated water mol-ecule. The four O atoms in the equatorial plane around the Co(II) ion form a slightly distorted square-planar arrangement with an average Co-O bond length of 2.086 Å; the slightly distorted octa-hedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a slightly longer distance [2.1603 (14) Å] in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 5.93 (13)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.09 (6)°. In the crystal structure, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.758 (1) Å] may further stabilize the crystal structure.

| S-EPMC2969956 | 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-κN)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 π-π 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

trans-Tetra-aqua-bis-(isonicotinamide-?N)cobalt(II) bis-(3-hy-droxy-benzoate) tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Co(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(5)O(3))(2)·4H(2)O, contains one-half of the complex cation with the Co(II) ion located on an inversion center, a 3-hy-droxy-benzoate counter-anion and two uncoordinated water mol-ecules. Four water O atoms in the equatorial plane around the Co(II) ion [Co-O = 2.0593?(16) and 2.1118?(16)?Å] form a slightly distorted square-planar arrangement, and the distorted octahedral geometry is completed by the two N atoms [Co-N = 2.1306?(18)?Å] from two isonicotinamide ligands. In the anion, the carboxyl-ate group is twisted from the attached benzene ring at 8.84?(17)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O-H?O and N-H?O hydrogen bonds, consolidates the crystal packing, which exhibits ?-? inter-actions between the benzene and pyridine rings, with centroid-centroid distances of 3.458?(1) and 3.606?(1)?Å, respectively.

| S-EPMC3297218 | biostudies-literature

Tetra-aqua-bis-(3,5-dinitro-benzoato-κO (1))magnesium tetra-hydrate.

Project description:In the structure of the title compound, [Mg(C7H3N2O6)2(H2O)4]·4H2O, the slightly distorted octa-hedral MgO6 coord-in-ation polyhedron comprises two trans-related carboxyl-ate O-atom donors from mononodentate 3,5-dinitro-benzoate ligands, and four water mol-ecules. The coordinating water mol-ecules and the four water mol-ecules of solvation give both intra- and inter-unit O-H⋯O hydrogen-bonding inter-actions with carboxyl-ate, water and nitro O-atom acceptors, forming a three-dimensional structure.

| S-EPMC3629491 | biostudies-literature

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

Tetra-aqua-bis-(2-methyl-1H-benzimidazolium-1,3-diacetato-κO)cobalt(II) tetra-hydrate.

Project description:In the title compound, [Co(C(12)H(11)N(2)O(4))(2)(H(2)O)(4)]·4H(2)O, the Co(II) atom lies on an inversion center and is octa-hedrally coordinated by six O atoms from four water mol-ecules and two monodentate zwitterionic 2-methyl-benzimidazolium-1,3-diacetate ligands. An intra-molecular O-H⋯O hydrogen bond occurs. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π inter-actions between the imidazole and benzene rings [centroid-centroid distance = 3.9031 (17) Å] consolidate the crystal packing.

| S-EPMC3200967 | biostudies-literature

[?-6,9-Bis(carboxylatomethyl)-3,12-bis(car-boxymethyl)-3,6,9,12-tetraaza-tetradecanedioato]bis-[aqua-cobalt(II)] tetra-hydrate.

Project description:The binuclear title complex, [Co(2)(C(18)H(26)N(4)O(12))(H(2)O)(2)]·4H(2)O, lies about a centre of inversion, the Co(II) atom being coordinated in a distorted octa-hedral arrangement defined by one water mol-ecule and N(2)O(3) donors derived from one end of a 6,9-bis(carboxylatomethyl)-3,12-bis(car-boxy-methyl)-3,6,9,12-tetraaza-tetradecanedioate (H(2)TTHA(4-)) tetra-anion. In the crystal, numerous O-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3569195 | biostudies-literature

Tetra-kis(μ(2)-2-methyl-3,5-dinitro-benzoato-κO:O)bis-[aqua-copper(II)] tetra-hydrate.

Project description:The title compound, [Cu(2)(C(8)H(5)N(2)O(6))(4)(H(2)O)(2)]·4H(2)O, forms a centrosymmetric paddle-wheel-type dimer with an intra-molecular Cu⋯Cu distance of 2.6540 (4) Å. The Cu(II) atom is in a square-pyramidal coordination environment formed by four O atoms of four carboxyl-ate groups and one water mol-ecule, which is located in the apical position. The carboxyl-ate groups are twisted relative to the benzene rings by 11.09 (16) and 45.55 (19)°. The nitro groups are not coplanar with the parent aromatic rings [dihedral angles = 16.2 (3)-51.45 (14)°]. O-H⋯O hydrogen bonds between the coordinated water mol-ecules and one of the nitro groups, as well as π-π stacking inter-actions [centroid-centroid distance = 3.5764 (12) Å] between the benzene rings, assemble the complex mol-ecules into a one-dimensional polymeric structure which is further extended into a three-dimensional polymeric network via O-H⋯O hydrogen bonds involving the water molecules of crystallization.

| S-EPMC3051452 | 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