Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diaqua-bis-(dihydrogen 3-aza-niumyl-1-hy-droxy-propyl-idene-1,1-di-phos-phon-ato-?O,O')cobalt(II).

ABSTRACT: The asymmetric unit of title compound, [Co(C(3)H(10)NO(7)P(2))(2)(H(2)O)(2)], contains one half-mol-ecule of the complex. The Co(II) atom is located on an inversion centre and displays a distorted octa-hedral coordination geometry defined by four O atoms of two 3-aza-niumyl-1-hy-droxy-propyl-idene-1,1-bis-phospho-nato ligands in the equatorial plane and two water mol-ecules located in axial positions. The ligand mol-ecules, which exist in a zwitterionic state, form two six-membered chelate rings with chair conformations. In the crystal, mol-ecules are inter-linked by O-H?O and N-H?O hydrogen bonds, forming a three-dimensional supra-molecular structure.

SUBMITTER: Tsaryk NV

PROVIDER: S-EPMC3238620 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diaqua-bis-(dihydrogen 3-aza-niumyl-1-hy-droxy-propyl-idene-1,1-di-phos-phon-ato-κO,O')cobalt(II).

Tsaryk Natalia V NV Dudko Anatolij V AV Kozachkova Alexandra N AN Pekhnyo Vasily I VI

Acta crystallographica. Section E, Structure reports online 20111105 Pt 12

The asymmetric unit of title compound, [Co(C(3)H(10)NO(7)P(2))(2)(H(2)O)(2)], contains one half-mol-ecule of the complex. The Co(II) atom is located on an inversion centre and displays a distorted octa-hedral coordination geometry defined by four O atoms of two 3-aza-niumyl-1-hy-droxy-propyl-idene-1,1-bis-phospho-nato ligands in the equatorial plane and two water mol-ecules located in axial positions. The ligand mol-ecules, which exist in a zwitterionic state, form two six-membered chelate rings ...[more]

PMID: 22199511

Similar Datasets

Poly[[aqua-tri-μ(3)-hydroxido-(μ(4)-2-phos-phon-ato-ethane-sulfonato)-dierbium(III)] monohydrate].

Project description:The crystal structure of the title compound, {[Er(2)(C(2)H(4)O(6)PS)(OH)(3)(H(2)O)]·H(2)O}(n), consists of two Er(3+) ions, one (C(2)H(4)O(6)PS)(3-) ion, three OH(-) ions, and two water mol-ecule. The Er(3+) ions form ErO(8) polyhedra., which are connected by μ- and μ(3)-O atoms. Thus, inorganic Er-O-Er layers of edge- and face-sharing polyhedra are observed. Whereas most often in metal phosphono-sulfonates the organic linker bridges adjacent layers, in the title compound, the (O(3)PC(2)H(4)SO(3))(3-) anion is only connected to one Er-O-Er layer. Short interatomic O⋯O distances [2.898 (8), 2.997 (14) and 2.768 (10) Å] indicate hydrogen bonding between the layers. The noncoordinated water mol-ecules are located between the layers.

| S-EPMC2959643 | biostudies-literature

Poly[[hexa-μ-aqua-diaqua-bis-(μ₄-dihydrogen benzene-1,2,4,5-tetra-carboxyl-ato)magnesiumdisodium] dihydrate].

Project description:The asymmetric unit of the title compound, {[MgNa₂(C₁₀H₄O₈)₂(H₂O)₈]·2H₂O}(n), contains one octa-hedrally coordin-ated Mg(II) atom (site symmetry 2/m), one octahedrally coordinated Na(I) atom (site symmetry 2) and one half of the dihydrogen benzene-1,2,4,5-tetra-carboxyl-ate (btec) ligand, the second half of the ligand being generated by a twofold rotation axis. The basic framework of the title compound features infinite (-Na-Na-Mg-)(n) chains along [10-1] with the metal cations bridged by the coordinating water molecules. The chains are isolated from each other by μ₄-bridging btec ligands, which form inter-molecular O-H⋯O hydrogen bonds to uncoordinated water mol-ecules and the coordinated water mol-ecules of a neighbouring chain. In each btec ligand, there are also intramolecular O-H⋯O hydrogen bonds.

| S-EPMC3393174 | biostudies-literature

Poly[[{?(3)-dihydrogen [(pyridin-4-yl-methyl-imino)-bis-(methyl-ene)]diphos-phon-ato-?O:O',N,O'':N'}copper(II)] dihydrate].

Project description:In the title polymer, {[Cu(C(8)H(12)N(2)O(6)P(2))]·2H(2)O}(n), the geometry of the five-coordinate Cu(II) ion can best be described as slightly distorted square-pyramidal formed by one N and two O atoms of an N(CH(2)PO(3)H)(2) group and one N atom from a pyridine ring. The elongated apex of the pyramid is occupied by one O atom from a third diphospho-nate ligand. The inter-connection of Cu(2+) ions by the diphospho-nate ligands results in the formation of a double-chain array along the b axis, in which the two sub-chains are inter-locked by pairs of PO(3) groups. The outside of each sub-chain is decorated by other PO(3) groups. These double chains are further assembled into a three-dimensional supra-molecular architecture via a large number of O-H?O hydrogen bonds between the phospho-nate groups and lattice water mol-ecules.

| S-EPMC3254309 | biostudies-literature

(1RS,2RS)-4,4'-(1-Aza-niumyl-2-hy-droxy-ethane-1,2-di-yl)dipyridinium tetra-chlorido-platinate(II) chloride.

Project description:The title compound, (C12H16N3O)[PtCl4]Cl, consists of a 4,4'-(1-aza-niumyl-2-hy-droxy-ethane-1,2-di-yl)dipyridinium trication, a square-planar tetra-chloridoplatinate(II) dianion and a chloride ion. In the cation, the pyridinium rings attached to the central 1-aza-niumyl-2-hy-droxy-ethane fragment have an anti conformation, as indicated by the central C-C-C-C torsion angle of -166.5?(6)°, and they are inclined to one another by 63.5?(4)°. In the crystal, the cations and anions are linked through N-H?Cl and O-H?Cl hydrogen bonds. There are also ?-? contacts [centroid-centroid distances = 3.671?(4) and 3.851?(4)?Å] and a number of C-H?Cl inter-actions present, consolidating the formation of a three-dimensional supra-molecular structure.

| S-EPMC3588516 | biostudies-literature

Bis(μ-2,2'-bi-1H-imidazole-1,1'-di-acet-ato)bis-[diaqua-cobalt(II)] hexa-hydrate.

Project description:The dinuclear title compound, [Co(2)(C(10)H(8)N(4)O(4))(2)(H(2)O)(4)]·6H(2)O, lies about an inversion centre. Each Co(II) atom is six-coordinated by two water mol-ecules, two carboxyl-ate O atoms and two N atoms of two symmetry-related 2,2'-bi-1H-imidazole-1,1'-diacetate (L(2-)) ligands in a slightly distorted octa-hedral geometry. Mol-ecules are linked into a three-dimensional framework via O-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC2977594 | biostudies-literature

Diaqua-bis-(4-hy-droxy-5-nitro-pyridine-2-carboxyl-ato-?N,O)copper(II).

Project description:In the title compound, [Cu(C(6)H(3)N(2)O(5))(2)(H(2)O)(2)], the Cu(II) ion, lying on an inversion center, is coordinated by two pyridine N atoms and two carboxyl-ate O atoms from symmetry-related two 4-hy-droxy-5-nitro-pyridine-2-carboxyl-ate ligands, and two water mol-ecules, forming a distorted octa-hedral geometry. In the crystal, O-H?O hydrogen bonds link the complex mol-ecules. One of the H atoms of the water mol-ecule is disordered over two sites of equal occupancy.

| S-EPMC3254315 | biostudies-literature

1-Aza-niumyl-cyclo-butane-1-carboxyl-ate monohydrate.

Project description:In the title compound, C5H9NO2·H2O, the amino acid is in the usual zwitterionic form involving the α-carboxyl-ate group. The cyclo-butane backbone of the amino acid is disordered over two conformations, with occupancies of 0.882 (7) and 0.118 (7). In the crystal, N-H⋯O and O-H⋯O hydrogen bonds link the zwitterions [with the water molecule involved as both acceptor (with the NH3 (+)) and donor (through a single carboxylate O from two different aminocyclobutane carb-oxylate moities)], resulting in a two-dimensional layered structure lying parallel to (100).

| S-EPMC3998359 | biostudies-literature

1,1'-Binaphthyl-2,2'-diyl benzyl-phos-phoramidate.

Project description:In the title compound, C(27)H(20)NO(3)P, the P atom exhibits a somewhat distorted PNO(3) tetra-hedral geometry, with the O-P-O angle for the binaphthyl fragment being 102.82 (6)°. The dihedral angle between the naphthyl ring systems is 59.00 (2)°. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3238962 | biostudies-literature

Aqua-carbon-yl(ferrocenyldi-thio-phos-phon-ato-?(2) S,S')bis-(tri-phenyl-phosphane-?P)ruthenium(II) dichloromethane mono-solvate.

Project description:The structure of the title complex, [FeRu(C5H5)(C5H4OPS2)(CO)(C18H15P)2(H2O)]·CH2Cl2, consists of one neutral [{FcP(O)S2}Ru(CO)(H2O)(PPh3)2] complex [Fc = Fe(?(5)-C5H4)(?(5)-C5H5)] and one CH2Cl2 solvent mol-ecule. The geometry around the Ru(II) atom is pseudo-octa-hedral, with two cis-binding PPh3 ligands and one chelating bidentate [Fc(O)PS2](2-) ligand via two S atoms. The average Ru-S and Ru-P bond lengths are 2.434?(1) and 2.398?(1)?Å, and the Ru-O and Ru-C bond lengths are 2.157?(3) and 1.826?(4)?Å, respectively. In the crystal, pairs of O-H?O hydrogen bonds link adjacent mol-ecules into dimers.

| S-EPMC3684901 | biostudies-other

Diaqua-bis-(5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ato-?N,O)cobalt(II) 3.5-hydrate.

Project description:In the title complex, [Co(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Co(II) cation is six-coordinated by two H(2)pimda(-) ligands (H(3)pimda is 2-propyl-1H-imidazole-4,5-carboxylic acid) and two water mol-ecules in a distorted octa-hedral environment. The crystal structures features a three-dimensional network stabilized by extensive O-H?O and N-H?O hydrogen bonds. The propyl groups of the ligands are disordered over two sets of sites with refined occupancies of 0.673?(8):0.327?(8) and 0.621?(17):0.379?(17). One of the water mol-ecules is located on a site with half-occupancy.

| S-EPMC3050148 | 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