Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Catena-Poly[[[diaqua-cobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)-κO,O:O-[tetra-aqua-cobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)-κO:O,O] dihydrate].

ABSTRACT: In polymeric title compound, {[Co(2)(C(7)H(2)N(2)O(7))(2)(H(2)O)(6)]·2H(2)O}(n), obtained from the reaction of 3,5-dinitro-salicylic acid with cobalt(II) acetate, both Co(II) atoms are located on inversion centres and exhibit a distorted octahedral coordination geometry. The coordin-ation sphere about one Co(II) atom comprises four O-atom donors from two bidentate chelate (O(phenolate) and O(carbox-yl)) and bridging dianionic ligands and two water mol-ecules [Co-O range = 2.0249 (11)-2.1386 (14) Å], while that about the second Co(II) atom has four water mol-ecules and two bridging carboxyl-ate O-donor atoms [Co-O range = 2.0690 (14)-2.1364 (11) Å]. The coordinated water mol-ecules as well as the water mol-ecules of solvation give O-H⋯O water-water and water-carboxyl hydrogen-bonding inter-actions in the three-dimensional framework structure.

SUBMITTER: Smith G

PROVIDER: S-EPMC3050395 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

catena-Poly[[[diaqua-cobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)-κO,O:O-[tetra-aqua-cobalt(II)]-μ-(3,5-dinitro-2-oxidobenzoato)-κO:O,O] dihydrate].

Smith Graham G Wermuth Urs D UD

Acta crystallographica. Section E, Structure reports online 20101224 Pt 1

In polymeric title compound, {[Co(2)(C(7)H(2)N(2)O(7))(2)(H(2)O)(6)]·2H(2)O}(n), obtained from the reaction of 3,5-dinitro-salicylic acid with cobalt(II) acetate, both Co(II) atoms are located on inversion centres and exhibit a distorted octahedral coordination geometry. The coordin-ation sphere about one Co(II) atom comprises four O-atom donors from two bidentate chelate (O(phenolate) and O(carbox-yl)) and bridging dianionic ligands and two water mol-ecules [Co-O range = 2.0249 (11)-2.1386 (14) ...[more]

PMID: 21522530

Similar Datasets

Bis(2,2'-bipyridine-κN,N')(3,5-dinitro-2-oxidobenzoato-κO,O)cobalt(II).

Project description:In the title compound, [Co(C(7)H(2)N(2)O(7))(C(10)H(8)N(2))(2)], the Co(II) atom is coordinated by four N atoms from two 2,2'-bipyridine ligands and two O atoms from a 3,5-dinitro-2-oxidobenzoate ligand, displaying a distorted octa-hedral coordination geometry. The crystal structure involves C-H⋯O hydrogen bonds between the 2,2'-bipyridine ligands and the carboxyl-ate and NO(2) groups of the 3,5-dinitro-2-oxidobenzoate ligand.

| S-EPMC2967915 | biostudies-literature

Poly[(μ-3,5-dinitro-2-oxidobenzoato)(μ-3-hydroxy-pyridine)copper(II)].

Project description:A new coordination polymer, [Cu(C(7)H(2)N(2)O(7))(C(5)H(5)NO)](n), exhibits a double-chain structure, in which 3,5-dinitro-2-oxidobenzoate and 3-hydroxy-pyridine both act as bridging ligands, -connecting adjacent copper(II) centers to form an infinite double-stranded chain. The asymmetric unit contains one Cu(II) ion, one 3,5-dinitro-2-oxidobenzoate ligand and a 3-hydroxy-pyridine ligand. Coordination by one N atom and three O atoms from two different 3,5-dinitro-2-oxidobenzoate ligands and a 3-hydroxy-pyridine ligand creates a square-planar Cu(II) center, which is augmented by a less tightly bonded fifth phenol O atom to form a square-pyramidal five-coordinate complex with an essentially planar base. The double-stranded chains are stabilized by intra-chain π-π inter-actions [the centroid-to-centroid distance between adjacent aromatic rings is 3.719 (7) Å], and further linked through O-H⋯O hydrogen bonds, forming a three-dimensional supra-molecular network.

| S-EPMC2961115 | biostudies-literature

catena-Poly[[diaqua-bis-(isoquinoline-κN)cobalt(II)]-μ-succinato-κO:O].

Project description:In the title compound, [Co(C(4)H(4)O(4))(C(9)H(7)N)(2)(H(2)O)(2)](n), the Co(II) cation, located on an inversion center, is coordinated by two succinate anions, two isoquinoline ligands and two water mol-ecules in a distorted octa-hedral geometry. The succinate anion, located across another inversion center, bridges the Co cations, forming polymeric chains running along the b axis. The partially overlapped arrangement of parallel isoquinoline ring systems of adjacent polymeric chains and the shorter face-to-face distance of 3.402 (6) Å indicates the existence of weak π-π stacking in the crystal structure. Classical intra- and inter-molecular O-H⋯O hydrogen bonding and weak non-classical inter-molecular C-H⋯O hydrogen bonding help to stabilize the crystal structure.

| S-EPMC3006983 | biostudies-literature

catena-Poly[[diaqua-cobalt(II)]-bis-(μ-4-fluoro-benzoato-κO:O')].

Project description:The hydro-thermal reaction of CoCO(3) and 4-fluoro-benzoic acid afforded the title Co(II) complex, [Co(C(7)H(4)FO(2))(2)(H(2)O)(2)](n). The Co(II) atom is located on an inversion center and is coordinated by six O atoms from two water mol-ecules and four μ(2)-carboxyl-ate groups of 4-fluoro-benzoate anions, forming a distorted CoO(6) octa-hedron, with Co-O bond lengths in the range 2.071 (2)-2.130 (2) Å. All adjacent O-Co-O angles are in the range 84.78 (6)-95.22 (6)° and opposite angles are 180.0°. Each μ-carboxyl-ate group of the 4-fluoro-benzoate anions bridges two symmetry-related Co(II) atoms. Hydrogen-bonding inter-actions of the coordinated water mol-ecules further connect the cobalt-carboxyl-ate units, forming layers perpendicular to the a axis. The cobalt-oxygen layers are encased in a sandwich-like fashion by layers of π-stacked 4-fluoro-benzoate anions. Within these layers the benzene rings of the 4-fluoro-benzoate anions are π-stacked, with centroid-centroid distances of 3.432 (4) Å.

| S-EPMC2977626 | biostudies-literature

Bis(μ-3,5-dinitro-2-oxidobenzoato)-κO,O:O;κO:O,O-bis[aqua-(2-phenyl-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene-κN,N)cobalt(II)].

Project description:In the title compound, [Co(2)(C(7)H(2)N(2)O(7))(2)(C(19)H(12)N(4))(2)(H(2)O)(2)], the Co(II) atom is six-coordinated by two N atoms from a 2-phenyl-1H-1,3,7,8,-tetraaza-cyclo-penta-[l]phenanthrene (L) ligand, three O atoms from two 3,5-dinitro-2-oxidobenzoate (3,5-dinitro-salicylate or DNSA) ligands and one O atom from a water mol-ecule in a distorted octa-hedral geometry. The Co(II) atoms are bridged by two carboxyl-ate O atoms from two DNSA ligands, forming a centrosymmetric dinuclear structure. Neighbouring dinuclear units inter-act with each other through two types of π-π inter-actions between the L ligands [shortest centroid-centroid distance = 3.646 (3) Å] and between the L and DNSA ligands [shortest atom-to-centroid distance = 3.794 (3) Å]. N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds are observed, which lead to a three-dimensional structure.

| S-EPMC3006703 | biostudies-literature

catena-Poly[(diaqua-strontium)-bis-(μ-2-methyl-3,5-dinitro-benzoato)].

Project description:The title compound, [Sr(C(8)H(5)N(2)O(6))(2)(H(2)O)(2)](n), essentially consists of a one-dimensional polymeric network with Sr(2)O(2) rings extending along the [100] direction. The range of Sr-O bond lengths is 2.4822 (13)-2.8113 (13) Å. C-H⋯O and O-H⋯O hydrogen-bonding inter-actions stabilize the mol-ecules in the form of a two-dimensional polymeric network parallel to (001). One of the nitro groups is disordered over three sets of sites with the occupancy ratio of 0.46:0.32:0.22.

| S-EPMC3200748 | biostudies-literature

catena-Poly[[[diaqua-bis[4-(diethyl-amino)benzoato-κO]manganese(II)]-μ-aqua] dihydrate].

Project description:In the crystal structure of the title complex, {[Mn(C(11)H(14)NO(2))(2)(H(2)O)(3)]·2H(2)O}(n), the two independent Mn(II) atoms are located on a centre of symmetry and coordinated by two 4-(diethyl-amino)benzoate (DEAB) anions and two water mol-ecules in the basal plane while another water mol-ecule bridges the Mn atoms in the apical directions, forming polymeric chains. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 11.33 (13) and 10.90 (9)° and the benzene rings are oriented at a dihedral angle of 67.88 (6)°. The uncoordinated water mol-ecules link the carboxyl-ate groups and coordinated water mol-ecules via O-H⋯O hydrogen bonding. Weak C-H⋯π inter-actions are also found in the crystal structure.

| S-EPMC2969307 | biostudies-literature

catena-Poly[[diaqua-bis-(3-methyl-pyridine-κN)cobalt(II)]-μ-sulfato-κO:O'].

Project description:The environment of the Co(II) ion in the title compound, [Co(SO(4))(C(6)H(7)N)(2)(H(2)O)(2)](n), exhibits an octa-hedral configuration with the two 3-methyl-pyridine ligands lying in cis positions with respect to each other and trans to the two coordinated water mol-ecules. The axial positions are occupied by O atoms of the sulfate ions. Co and S atoms occupy special positions (twofold axis, Wyckoff position 4c). Neighboring Co(II) ions are covalently connected with each other through the sulfate ions, thus creating infinite polymeric chains that run along the c axis. The water mol-ecules are connected with neighboring sulfate ions through strong O-H⋯O hydrogen bonds. Intra-molecular hydrogen bonds parallel to the propagation direction of the chains stabilize the polymeric chains, and inter-molecular hydrogen bonds between chains connect neighboring chains with each other, thus leading to polymeric double chains.

| S-EPMC3212146 | biostudies-literature

catena-Poly[[[diaqua-diformato-cobalt(II)]-μ-1,4-bis-(1H-benzimidazol-1-yl)benzene] dihydrate].

Project description:In the title coordination polymer, {[Co(CHO(2))(2)(C(20)H(14)N(4))(H(2)O)(2)]·2H(2)O}(n), the Co(II) atom (site symmetry [Formula: see text]) is coordinated by two formate O atoms, two water O atoms and two N atoms from two 1,4-bis-(1H-benzimidazol-1-yl)benzene ligands (L), resulting in a distorted trans-CoN(2)O(4) octa-hedral coordin-ation environment. The complete L ligand is generated by crystallographic inversion symmetry and serves to bridge the cobalt ions into a chain propagating in [1[Formula: see text][Formula: see text]]. The dihedral angle between the central benzene ring and the imidazole ring system is 38.48 (12)°. O-H⋯O hydrogen bonds involving both the coordinated and uncoordinated water mol-ecules occur and help to link the chains together.

| S-EPMC3274843 | biostudies-literature

Poly[(3,5-dinitro-benzoato)-μ(3)-triazolato-cobalt(II)].

Project description:The title compound, [Co(C(2)H(2)N(3))(C(7)H(3)N(2)O(6))](n), was obtained by the reaction of CoCl(2), triazole and 3,5-dinitro-benzoic acid in a 1:1:1 ratio. The Co centre is in a distorted tetrahedral coordination by three N atoms of three different triazole ligands and one O atom of the 3,5-dinitrobenzoate anion.

| S-EPMC2967891 | 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