Browse
Submit Data
Databases
API
Help

Dataset Information

28 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Eshtiagh-Hosseini H

PROVIDER: S-EPMC3254334 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Eshtiagh-Hosseini H H Mirzaei M M Mousavinezhad A A Necas M M Mague J T JT

Acta crystallographica. Section E, Structure reports online 20111221 Pt 1

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 coo ...[more]

PMID: 22259367

Similar Datasets

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

Hexaaqua-nickel(II) tetra-aqua-bis-(?-pyridine-2,6-dicarboxyl-ato)bis-(pyridine-2,6-dicarboxyl-ato)trinickelate(II) octa-hydrate.

Project description:The title compound, [Ni(H(2)O)(6)][Ni(3)(C(7)H(3)NO(4))(4)(H(2)O)(4)]·8H(2)O, was obtained by the reaction of nickel(II) nitrate hexa-hydrate with pyridine-2,6-dicarb-oxy-lic acid (pydcH(2)) and 1,10-phenanothroline (phen) in an aqueous solution. The latter ligand is not involved in formation of the title complex. There are three different Ni(II) atoms in the asymmetric unit, two of which are located on inversion centers, and thus the [Ni(H(2)O)(6)](2+) cation and the trinuclear {[Ni(pydc)(2)](2)-?-Ni(H(2)O)(4)}(2-) anion are centrosymmetric. All Ni(II) atoms exhibit an octa-hedral coordination geometry. Various inter-actions, including numerous O-H?O and C-H?O hydrogen bonds and C-O?? stacking of the pyridine and carboxyl-ate groups [3.570?(1), 3.758?(1) and 3.609?(1)?Å], are observed in the crystal structure.

| S-EPMC3007465 | biostudies-literature

Bis(2,3-diamino-pyridinium) bis-(μ-pyridine-2,6-dicarboxyl-ato)-κO,N,O:O;κO:O,N,O-bis-[aqua-(pyridine-2,6-dicarboxyl-ato-κO,N,O)bis-muthate(III)] tetra-hydrate.

Project description:In the centrosymmetric dinuclear complex anion of the title compound, (C(5)H(8)N(3))(2)[Bi(2)(C(7)H(3)NO(4))(4)(H(2)O)(2)]·4H(2)O, the Bi(III) atom is eight-coordinated in an N(2)O(6) environment and has a distorted bicapped trigonal-prismatic coordination environment. Extensive inter-molecular O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonds lead to the stability of the crystal structure. Inter-actions between one C-H group of the 2,3-diamino-pyridinium [(2,3-dapyH)(+)] cation and the aromatic ring of the pyridine-2,6-dicarboxyl-ate (pydc) ligand (C-H⋯centroid distance = 2.78 Å) and π-π inter-actions between the (2,3-dapyH)(+) cations and between the (2,3-dapyH)(+) cation and the pydc ligand [centroid-centroid distances = 3.489 (5) and 3.694 (5) Å] are observed.

| S-EPMC3052092 | biostudies-literature

Poly[[dodeca-aqua-bis-(?(3)-pyridine-2,6-dicarboxyl-ato)tetra-kis-(?(2)-pyridine-2,6-dicarboxyl-ato)tri-calciumdieuropium(III)] 10.5-hydrate].

Project description:In the title compound, {[Ca(3)Eu(2)(C(7)H(3)NO(4))(6)(H(2)O)(12)]·10.5H(2)O}(n), the Eu(III) ion is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate (PDA) ligands, forming a [Eu(PDA)(3)](3-) building block. The Ca(2+) ions adopt two types of coordination geometries. One Ca(2+) ion, lying on a twofold rotation axis, is eight-coordinated by four carboxyl-ate O atoms from four PDA ligands and four water mol-ecules, and the other two Ca(2+) ions, each lying on an inversion center, are six-coordinated by two carboxyl-ate O atoms from two PDA ligands and four water mol-ecules. The carboxyl-ate groups bridge the Eu(III) and Ca(2+) ions into a three-dimensional porous framework, with channels extending along [010] and [001] in which lattice water mol-ecules are located. Two of the lattice water mol-ecules are disordered over two sets of sites with equal occupancy and one water mol-ecule is 0.25-occupied. Numerous O-H?O hydrogen bonds involving the water mol-ecules and carboxyl-ate O atoms are present.

| S-EPMC3344405 | biostudies-literature

Tetra-μ-aqua-octaaqua-bis(μ-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-literature

Tetra-aqua-bis-(6-chloro-pyridine-3-carboxyl-ato-κO)nickel(II) tetra-hydrate.

Project description:In the title compound, [Ni(C(6)H(3)ClNO(2))(2)(H(2)O)(4)]·4H(2)O, the Ni(II) ion is located on an inversion centre and is octa-hedrally coordinated by four O atoms from four water mol-ecules in the equatorial plane and two O atoms of two 6-chloro-3-carboxyl-ate ligands in axial positions. There are also four lattice water molecules present. The organic ligands are bound to the Ni(II) ion in a monodentate manner through a carboxyl-ate O atom. There is one strong intra-molecular O-H⋯O hydrogen bond and six inter-molecular O-H⋯O and O-H⋯N hydrogen-bonding inter-actions in the packing, resulting in a complex three-dimensional network structure.

| S-EPMC3515138 | biostudies-literature

Tetra-aqua-bis-(6-chloro-pyridine-3-carboxyl-ato-κO)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

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

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

Tetra-kis(1,10-phenanthroline)bis-(?-pyridine-2,6-dicarboxyl-ato)(pyridine-2,6-di-carboxyl-ato)dicopper(II)terbium(III) nitrate tetra-hydrate.

Project description:The asymmetric unit of the title compound, [Cu(2)Tb(C(7)H(3)NO(4))(3)(C(12)H(8)N(2))(4)]NO(3)·4H(2)O, consists of one-half of the C(2)-symmetric trinuclear coordination cation, one-half of the C(2)-symmetric nitrate anion and two water mol-ecules. In the coordination cation, the Cu(II) atom is coordinated by four N atoms from two 1,10-phenanthroline ligands and two O atoms from a bridging-chelating carboxyl-ate group of the pyridine-2,6-dicarboxyl-ate anion, completing a distorted N(4)O(2) octa-hedral coordination environment. The Tb(III) atom, located on a twofold rotation axis, is nine-coordinated by three tridentate pyridine-2,6-dicarboxyl-ate anions forming an N(3)O(6) donor set. The intra-molecular Cu?Tb distance of 5.0592?(11)?Å indicates weak inter-actions between the Cu(II) and Tb(III) atoms. The coordination cations, nitrate anions and water mol-ecules are connected via O-H?O hydrogen bonds into layers parallel to the (001) plane. Moreover, there are extensive ?-? stacking inter-actions [centroid-centroid distances = 4.332?(7) and 3.878?(5)?Å] between the phenanthroline ligands and between phenanthroline and pyridine-2,6-dicarboxyl-ate ligands.

| S-EPMC3414140 | 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