Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Hexaaqua-zinc(II) bis-[tris-(3-carb-oxy-pyridine-2-carboxyl-ato)zincate(II)].

ABSTRACT: The title compound, [Zn(H(2)O)(6)][Zn(C(7)H(4)NO(4))(3)](2), consists of two [Zn(py-2,3-dcH)(3)](-) anions (py-2,3-dcH is 3-carboxy-pyridine-2-carboxylate) and one [Zn(H(2)O)(6)](2+) cation. The anion is a six-coordinate complex located on a threefold rotation axis with a slightly distorted octa-hedral geometry around Zn(2+) ion. The cation is also six-coordinate with an octa-hedral geometry around the Zn atom, located at a axis. Non-covalent inter-actions such as ?-? stacking [centroid-centroid distance = 3.828?(4)Å] and O-H?O hydrogen bonds play important roles in stabilizing the supra-molecular structure.

SUBMITTER: Gharagozlou M

PROVIDER: S-EPMC3011689 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Hexaaqua-zinc(II) bis-[tris-(3-carb-oxy-pyridine-2-carboxyl-ato)zincate(II)].

Gharagozlou Mehrnaz M Langer Vratislav V Nemati Andya A

Acta crystallographica. Section E, Structure reports online 20101120 Pt 12

The title compound, [Zn(H(2)O)(6)][Zn(C(7)H(4)NO(4))(3)](2), consists of two [Zn(py-2,3-dcH)(3)](-) anions (py-2,3-dcH is 3-carboxy-pyridine-2-carboxylate) and one [Zn(H(2)O)(6)](2+) cation. The anion is a six-coordinate complex located on a threefold rotation axis with a slightly distorted octa-hedral geometry around Zn(2+) ion. The cation is also six-coordinate with an octa-hedral geometry around the Zn atom, located at a axis. Non-covalent inter-actions such as π-π stacking [centroid-centroid ...[more]

PMID: 21589286

Similar Datasets

Guanidinium hexa-aqua-zinc(II) bis[tris-(3-carb-oxy-pyridine-2-carboxyl-ato)zincate].

Project description:In the title mol-ecular salt, (CH(6)N(3))(1.30)[Zn(H(2)O)(6)](0.35)[Zn(C(7)H(4)NO(4))(3)](2), the Zn(II) atom (site symmetry 3) in the anion is coordinated by three N,O-bidentate 3-carb-oxy-pyridine-2-carboxyl-ate monoanions to generate a fac-ZnN(3)O(3) octa-hedral coordination geometry. The guanidinium cation (the C atom has site symmetry 3) and the octa-hedral hexa-aqua-zinc(II) dication (the Zn(2+) cation has site symmetry -3) are occupationally disordered in a 1.30:0.35 ratio. In the crystal, the components are linked by O-H?O and N-H?O hydrogen bonds to generate infinite (001) sheets. Weak aromatic ?-? stacking [centroid-centroid distance = 3.797?(8)?Å] is also observed in the crystal.

| S-EPMC3414107 | biostudies-literature

Acridinium (6-carboxy-pyridine-2-carboxyl-ato)(pyridine-2,6-dicarboxyl-ato)zincate(II) penta-hydrate.

Project description:The reaction of Zn(NO(3))(2) with pyridine-2,6-dicarboxylic acid (pydcH(2)) and acridine (acr) in aqueous solution leads to the formation of the title compound, (C(13)H(10)N)[Zn(C(7)H(3)NO(4))(C(7)H(4)NO(4))]·5H(2)O or (acrH)[Zn(pydcH)(pydc)]·5H(2)O. In the title compound, the Zn(II) atom is coordinated by four O atoms and two N atoms from the tridentate chelating rings of (pydc)(2-) and (pydcH)(-) anions. The geometry of the resulting ZnN(2)O(4) coordination can be described as distorted octa-hedral. To balance the charges, one protonated acridine (acrH)(+) cation is present. In the crystal structure, extensive O-H?O and N-H?O hydrogen bonds involving acrH(+), the complex anion and uncoordinated water mol-ecules form a three-dimensional network.

| S-EPMC2968778 | biostudies-literature

Tris(6-carb-oxy-pyridine-2-carboxyl-ato)terbium(III) 2.75-hydrate.

Project description:In the title compound, [Tb(C(7)H(4)NO(4))(3)]·2.75H(2)O, the Tb(3+) atom is coordinated by three tridentate 6-carb-oxy-pyridine-2-carboxyl-ate ligands and lies on a crystallographic threefold rotation axis. The coordination polyhedron around Tb(III) adopts a distorted tricapped trigonal-prismatic geometry. Disordered water mol-ecules with partial occupancy are also present in the crystal, one of which is associated with each of the carboxyl-ate O atoms of the complex unit.

| S-EPMC3151876 | biostudies-other

Phenyl-hydrazinium (6-carb-oxy-pyridine-2-carboxyl-ato)(pyridine-2,6-dicarboxyl-ato)cobaltate(II)-pyridine-2,6-dicarb-oxy-lic acid-water (1/1/3).

Project description:The asymmetric unit of the title compound, (C(6)H(9)N(2))[Co(C(7)H(3)NO(4))(C(7)H(4)NO(4))]·C(7)H(5)NO(4)·3H(2)O, contains one (6-carb-oxy-pyridine-2-carboxyl-ato)(pyridine-2,6-dicarboxyl-ato)cobaltate(II) anion, one phenyl-hydrazinium cation, one pyridine-2,6-dicarb-oxy-lic acid mol-ecule and three uncoordin-ated water mol-ecules, part of which are disordered. The Co(II) ion is coordinated by a pyridine-2,6-dicarboxyl-ate ion and a 6-carb-oxy-pyridine-2-carboxyl-ate ligand almost perpendicular to each other [the angle between the least-squares planes is 87.38?(4)°] and is surrounded by two O atoms and two N atoms in the equatorial plane and two O atoms in axial positions, resulting in a distorted octa-hedral coordination geometry. There is an extensive three-dimensional network of O-H?O and N-H?O hydrogen bonds, which link the components.

| S-EPMC3011730 | biostudies-literature

Bis(4-carb-oxy-pyridine-2-carboxyl-ato-κN,O)copper(II) dimethyl sulfoxide disolvate.

Project description:In the title complex, [Cu(C(7)H(4)NO(4))(2)]·2C(2)H(6)OS, the Cu(II) atom is situated on an inversion centre and is N,O-chelated by two monoanionic 4-carb-oxy-pyridine-2-carboxyl-ate ligands in a slightly distorted square-planar coordination geometry. The dimethyl sulfoxide solvent mol-ecules and Cu(II) complex mol-ecules are linked by O-H⋯O hydrogen bonding. In addition, C-H⋯O contacts and π-π inter-actions [centroid-centroid distance = 3.590 (1) Å] occur.

| S-EPMC3051791 | biostudies-literature

Bis-(?-pyridine-2,3-dicarboxyl-ato)bis-[aqua-(3-carb-oxy-pyridine-2-carboxyl-ato)indium(III)] tetra-hydrate.

Project description:In the binuclear centrosymmetric title compound, [In(2)(C(7)H(3)NO(4))(2)(C(7)H(4)NO(4))(2)(H(2)O)(2)]·4H(2)O, which contains both pyridine-2,3-dicarboxyl-ate and 3-carb-oxy-pyridine-2-carboxyl-ate ligands, the In(III) atom is six-coordinated in a distorted octa-hedral geometry. One pyridine ligand is N,O-chelated while the other is N,O-chelated and at the same time bridging to the other via the second carboxyl group. In the crystal, an extensive O-H?O hydrogen-bonding network, involving the coordinated and lattice water mol-ecules and the carboxyl groups of the ligands, together with C-H?O and ?-? inter-actions [centroid-centroid distance = 3.793?(1)?Å], leads to the formation of a three-dimensional structure.

| S-EPMC3254334 | biostudies-literature

Penta-aqua-(5-carb-oxy-pyridine-2-carboxyl-ato-?N,O)(pyridine-2,5-dicarboxyl-ato-?N,O)cerium(III) tetra-hydrate.

Project description:In the title compound, [Ce(C(7)H(3)NO(4))(C(7)H(4)NO(4))(H(2)O)(5)]·4H(2)O, the Ce(3+) ion is nine-coordinated by two O atoms and two N atoms from one single and from one double deprotonated pyridine-2,5-dicarboxyl-ate ligand and five water mol-ecules in a distorted monocapped square-anti-prismatic geometry. In the crystal, extensive O-H?O hydrogen-bonding inter-actions result in a three-dimensional supra-molecular architecture.

| S-EPMC3254311 | biostudies-literature

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

Project description:In the title complex, [Zn(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Zn(II) ion is coordinated by two N,O-bidentate H(2)pimda ligands (H(3)pimda = 2-propyl-1H-imidazole-4,5-dicarb-oxy-lic acid) and two water mol-ecules in a distorted octa-hedral environment. In the crystal structure, extensive inter-molecular O-H⋯O and N-H⋯O hydrogen bonds stabilize the three-dimensional supra-molecular network. Intra-molecular O-H⋯O hydrogen bonds between the carboxyl groups are also observed. The propyl groups of the two H(2)pimda ligands are disordered each over two sites, with occupancy factors of 0.752 (5):0.248 (5) and 0.519 (7):0.481 (7). One of the water mol-ecules is half-occupied.

| S-EPMC3008058 | biostudies-literature

3,5-Diamino-4H-1,2,4-triazol-1-ium (6-carb-oxy-pyridine-2-carboxyl-ato)(pyridine-2,6-dicarboxyl-ato)cuprate(II) trihydrate.

Project description:In the complex anion of the title compound, (C(2)H(6)N(5))[Cu(C(7)H(4)NO(4))(C(7)H(3)NO(4))]·3H(2)O, the Cu(II) atom is coordinated by tridentate 6-carb-oxy-pyridine-2-carboxyl-ate and pyridine-2,6-dicarboxyl-ate ligands and is surrounded by four O atoms in the equatorial plane and two N atoms in axial positions in a distorted octa-hedral geometry. In the crystal, the components are linked into a three dimensional network by O-H?O, N-H?O, N-H?N and C-H?O hydrogen bonds and a ?-? inter-action with a centroid-centroid distance of 3.6080?(8)?Å.

| S-EPMC3099907 | biostudies-other

trans-Diaqua-bis-[5-carb-oxy-4-carboxyl-ato-2-(4-pyridinio)-1H-imidazol-1-ido-κN,O]zinc(II).

Project description:In the title complex, [Zn(C(10)H(6)N(3)O(4))(2)(H(2)O)(2)], the Zn(II) atom is located on a twofold rotation axis and is coordinated by two trans-positioned N,O-bidentate and zwitterionic 5-carb-oxy-4-carboxyl-ato-2-(4-pyridinio)-1H-imidazol-1-ide (H(2)PIDC(-)) ligands and two water mol-ecules, defining a distorted octa-hedral environment. The complete solid-state structure can be described as a three-dimensional supra-molecular framework, stabilized by extensive hydrogen-bonding inter-actions involving the coordinated water mol-ecules, uncoordin-ated imidazole N atom, protonated pyridine N and carboxyl-ate O atoms of the H(2)PIDC(-) ligands.

| S-EPMC3007913 | 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