Browse
Submit Data
Databases
API
Help

Dataset Information

48 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diaqua-(5-carb-oxy-benzene-1,3-dicarboxyl-ato-κO,O)(6,6'-dimethyl-2,2'-bipyridine-κN,N')nickel(II) hepta-hydrate.

ABSTRACT: In the title compound, [Ni(C(9)H(4)O(6))(C(12)H(12)N(2))(H(2)O)(2)]·7H(2)O, the Ni(II) atom is six-coordinated by two O atoms from a chelating carboxyl-ate group of a 5-carb-oxy-benzene-1,3-dicarboxyl-ate ligand, two O atoms of two water mol-ecules and two N atoms from a 6,6'-dimethyl-2,2'-bipyridine ligand in a distorted octa-hedral geometry. The compound exhibits a three-dimensional supra-molecular structure composed of the complex mol-ecules and lattice water mol-ecules, which are linked together by inter-molecular O-H⋯O hydrogen bonds and partly overlapping π-π inter-actions between the pyridine and benzene rings [centroid-centroid distances = 3.922 (2) and 3.921 (2) Å]. One of the lattice water mol-ecules is disordered over two positions in an occupancy ratio of 0.521 (6):0.479 (6).

SUBMITTER: Shan WW

PROVIDER: S-EPMC3200942 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diaqua-(5-carb-oxy-benzene-1,3-dicarboxyl-ato-κO,O)(6,6'-dimethyl-2,2'-bipyridine-κN,N')nickel(II) hepta-hydrate.

Shan Wen-Wen WW Xiong Han-Lin HL Mei Chong-Zhen CZ

Acta crystallographica. Section E, Structure reports online 20110817 Pt 9

In the title compound, [Ni(C(9)H(4)O(6))(C(12)H(12)N(2))(H(2)O)(2)]·7H(2)O, the Ni(II) atom is six-coordinated by two O atoms from a chelating carboxyl-ate group of a 5-carb-oxy-benzene-1,3-dicarboxyl-ate ligand, two O atoms of two water mol-ecules and two N atoms from a 6,6'-dimethyl-2,2'-bipyridine ligand in a distorted octa-hedral geometry. The compound exhibits a three-dimensional supra-molecular structure composed of the complex mol-ecules and lattice water mol-ecules, which are linked toge ...[more]

PMID: 22065470

Similar Datasets

Diaqua-(2,2'-bipyridine-6,6'-dicarboxyl-ato)nickel(II).

Project description:In the title compound, [Ni(C(12)H(6)N(2)O(4))(H(2)O)(2)], the Ni(II) atom (site symmetry 2) displays a distorted cis-NiN(2)O(4) octa-hedral coordination geometry with two N atoms and two O atoms of the tetra-dentate 2,2'-bipyridine-6,6'-dicarboxyl-ate ligand in the equatorial plane and two water mol-ecules in axial positions. The complete dianionic ligand is generated by crystallographic twofold symmetry. In the crystal, a two-dimensional supra-molecular structure parallel to (001) is formed through O-H⋯O hydrogen-bond inter-actions between the coordinated water mol-ecules and the O atoms of nearby carboxyl-ate groups.

| S-EPMC3120548 | biostudies-literature

Diaqua-(5-carb-oxy-benzene-1,3-di-carboxyl-ato-κO)(4,4'-dimethyl-2,2'-bipyridine-κN,N')zinc.

Project description:In the title compound, [Zn(C(9)H(4)O(6))(C(12)H(12)N(2))(H(2)O)(2)], the Zn(II) atom is five-coordinated by two N atoms from a 4,4'-dimethyl-2,2'-bipyridine ligand, one O atom from a 5-carb-oxy-benzene-1,3-dicarboxyl-ate ligand and two water mol-ecules in a distorted trigonal-bipyramidal geometry. The complex mol-ecules are linked by inter-molecular O-H⋯O hydrogen bonds and partly overlapping π-π inter-actions [centroid-centroid distance = 4.017 (2) Å] into a three-dimensional supra-molecular network.

| S-EPMC3120513 | biostudies-literature

Poly[[diaqua-(3-carb-oxy-5-nitro-ben-zo-ato)(μ-5-nitro-benzene-1,3-dicarboxyl-ato)neodymium(III)] 2.5-hydrate].

Project description:In the title compound, {[Nd(C(8)H(3)NO(6))(C(8)H(4)NO(6))(H(2)O)(2)]·2.5H(2)O}(n), the Nd(II) ion is nine-coordinated by seven O atoms from five carboxyl-ate groups and two water mol-ecules. The [Nd(C(8)H(3)NO(6))(H(2)O)(2)](2+) units are bridged by 5-nitro-isophthalate dianions, forming polymeric sheets parallel to the ab plane. The polymeric sheets are linked into a three-dimensional network by O-H⋯O and C-H⋯O hydrogen bonds, and π-π inter-actions [centroid-centroid distance = 3.5533 (11) Å]. The 5-nitro-isophthalate(1-) anion is disordered over three positions with an occupancy ratio of 0.68:0.23:0.09. Two of the uncoordinated water mol-ecules are disordered over two positions, with occupancy ratios of 0.722 (15):0.278 (15) and 0.279 (6):0.221 (6), respectively.

| S-EPMC2970002 | biostudies-literature

(2,2'-Bipyridine-6,6'-dicarboxyl-ato-?N,N',O)(6'-carb-oxy-2,2'-bipyridine-6-carboxyl-ato-?N,N',O)rhodium(III).

Project description:The Rh(III) ion in the title compound, [Rh(C(12)H(6)N(2)O(4))(C(12)H(7)N(2)O(4))], is coordinated by four N atoms and two O atoms from two chelating ligands L and HL (H(2)L = 2,2'-bipyridine-6,6'-dicarb-oxy-lic acid) to form a distorted octa-hedral geometry. Face-to-face ?-stacking inter-actions are observed between inversion-related pyridine rings, with a centroid-to-centroid distance of 3.581?(1)?Å [the perpendicular distance between the rings is 3.3980?(7)?Å]. Inter-molecular O-H?O hydrogen bonds link adjacent mol-ecules into one-dimensional supra-molecular chains along the c axis, while several inter-molecular C-H?O inter-actions are also observed.

| S-EPMC3297246 | biostudies-literature

Bis(μ-3-chloro-benzene-1,2-dicarboxyl-ato-κO:O)bis-[diaqua-(5,5'-dimethyl-2,2'-bipyridine-κN,N')copper(II)].

Project description:In the centrosymmetric binuclear title compound, [Cu(2)(C(8)H(3)ClO(4))(2)(C(12)H(12)N(2))(2)(H(2)O)(4)], the Cu(II) ion is six-coordinated by two N atoms from a 5,5'-dimethyl-2,2'-bipyridine ligand, two bridging O atoms from two 3-chloro-benzene-1,2-dicarboxyl-ate ligands and two water mol-ecules in a distorted octa-hedral geometry. The binuclear complex mol-ecules are linked together by inter-molecular O-H⋯O hydrogen bonds into a layer parallel to (100). The layers are connected by C-H⋯Cl hydrogen bonds. Intra-molecular O-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.5958 (16) Å] are also present.

| S-EPMC3201524 | biostudies-literature

(2,2'-Bipyridine-6,6'-dicarboxyl-ato-?(3)N,N',O(6))(6'-carb-oxy-2,2'-bipyridine-6-carboxyl-ato-?(3)N,N',O(6))cobalt(III).

Project description:The Co(III) atom in the title compound, [Co(C(12)H(6)N(2)O(4))(C(12)H(7)N(2)O(4))], is six-coordinated in a distorted octa-hedral geometry by four N atoms and two O atoms of the chelating 2,2'-bipyridine-6,6'-dicarboxyl-ate and 6'-carb-oxy-2,2'-bipyridine-6-carboxyl-ate ligands. Intermolecular O-H?O hydrogen bonds and face-to-face ?-stacking inter-actions [centroid-centroid distance = 3.6352?(16)?Å] between inversion-related pyridine rings link adjacent mononuclear units into a two-dimensional supra-molecular structure, and several inter-molecular C-H?O inter-actions are also observed.

| S-EPMC3343819 | biostudies-other

(?-5-Carboxy-benzene-1,3-dicarboxyl-ato-?O:O)bis-[bis-(2,2'-bipyridine-?N,N')copper(II)] 5-carboxy-benzene-1,3-dicarboxyl-ate 2,2'-bipyridine solvate trideca-hydrate.

Project description:The asymmetric unit of the title complex, [Cu(2)(C(9)H(4)O(6))(C(10)H(8)N(2))(4)](C(9)H(4)O(6))·C(10)H(8)N(2)·13H(2)O, comprises two formula units. The two Cu(II) centres are bridged by a 5-carb-oxy-benzene-1,3-dicarboxyl-ate (Hbtc) ligand. Each of the metal centres is bonded to four N atoms of two bidentate 2,2'-bipyridine ligands (bpy) and one O atom of the Hbtc ligand in a highly distorted square-pyramidal geometry. The secondary structure is stabilized by a variety of O-H?O hydrogen bonds and ?-? stacking inter-actions connecting the complex cations, Hbtc anions, bpy and water mol-ecules of crystallization. Three water molecules are disordered over two positions, with site occupancy factors of ca 0.8 and 0.2.

| S-EPMC2960318 | biostudies-other

Triaqua-(2,2'-bipyridine N,N'-dioxide-κO,O')(5-nitro-benzene-1,3-dicarboxyl-ato-κO)zinc(II).

Project description:In the title compound, [Zn(C(8)H(3)NO(6))(C(10)H(8)N(2)O(2))(H(2)O)(3)], the Zn(II) ion is coordinated in a distorted octa-hedral geometry by three water mol-ecules, one O atom from a 5-nitro-benzene-1,3-dicarboxyl-ate ligand and two O atoms from a chelating 2,2'-bipyridine N,N'-dioxide ligand. An extensive network of O-H⋯O hydrogen bonds is formed between the water mol-ecules and the carboxyl-ate groups. C-H⋯O inter-actions are also present.

| S-EPMC2969831 | biostudies-literature

Diaqua-(2,2'-bipyridine-5,5'-dicarboxyl-ato-κN,N')(ethyl-enediamine-κN,N')copper(II) 2.5-hydrate.

Project description:In the mol-ecule of the title compound, [Cu(C(12)H(6)N(2)O(4))(C(2)H(8)N(2))(H(2)O)(2)]·2.5H(2)O, the Cu(II) atom is six-coordinated in a distorted octa-hedral configuration by two N atoms from a 2,2'-bipyridine-5,5'-dicarboxyl-ate anion, two N atoms from ethyl-enediamine and two O atoms from two water mol-ecules. There are also two and a half water mol-ecules in the asymmetric unit. The planar five-membered ring is nearly coplanar with the adjacent pyridine rings, while the other five-membered ring adopts a twisted conformation, probably due to hydrogen bonding. In the crystal structure, intra- and inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules.

| S-EPMC2959425 | biostudies-literature

catena-Poly[[diaqua-(2,2'-bipyridine-κN,N')nickel(II)]-μ-biphenyl-2,2'-dicarboxyl-ato-κO:O'].

Project description:In the title compound, [Ni(C(14)H(8)O(4))(C(10)H(8)N(2))(H(2)O)(2)](n), the Ni(II) atom is coordinated in a slightly distorted octa-hedral geometry by two water mol-ecules, two N atoms from a 2,2'-bipyridine ligand and two O atoms from the carboxyl-ate groups of two 2,2'-biphenyl-dicarboxyl-ate (2,2'-dpa) ligands. The 2,2'-dpa ligand acts as a bridge between neighbouring Ni(II) atoms, forming one-dimensional coordination polymers along [100]. The coordinated water mol-ecules form hydrogen bonds to the carboxyl-ate O atoms of 2,2'-dpa within the same coordination polymer, and one O-H⋯π inter-action is also formed to 2,2'-dpa.

| S-EPMC2959859 | 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