Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(4-hy-droxy-benzoato-κO,O')bis-(pyridine-κN)copper(II).

ABSTRACT: In the title compound, [Cu(C(7)H(5)O(3))(2)(C(5)H(5)N)(2)], the Cu atom is located on an inversion center and is coordinated by the N atoms of the two pyridine ligands, trans to each other, and to the carboxyl-ate O atoms of two bidentate 4-hy-droxy-benzoate ligands [Cu-O = 1.9706 (10) and 2.5204 (11) Å]. Hydrogen bonding between hy-droxy H and carboxyl-ate O atoms results in a layer structure parallel to the ab plane.

SUBMITTER: Ozair LN

PROVIDER: S-EPMC3151994 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Bis(μ-3-hy-droxy-benzoato)-κO,O:O;κO:O,O-bis-[(3-hy-droxy-benzoato-κO,O')(iso-nicotinamide-κN)cadmium] tetra-hydrate.

Project description:In the title centrosymmetric binuclear Cd(II) compound, [Cd(2)(C(7)H(5)O(3))(4)(C(6)H(6)N(2)O)(2)]·4H(2)O, the six-coordinated Cd(II) atom is chelated by the carboxyl-ate groups of the two 3-hy-droxy-benzoate (HB) anions; the two monomeric units are bridged through the two O atoms of the two carboxyl-ate groups. In the crystal, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the pyridine rings and between the benzene rings [centroid-centroid distances = 3.770 (1), 3.769 (1) and 3.632 (1) Å] may further stabilize the structure.

| S-EPMC3274919 | biostudies-literature

Bis(5-hy-droxy-isophthalato-κO (1))bis-[4-(pyridine-3-carboxamido-κN (3))pyridinium]copper(II) tetra-hydrate.

Project description:In the title compound, [Cu(C11H10N3O)2(C8H4O5)2]·4H2O, the Cu(II) ion, located on a crystallographic inversion center, is coordinated in a square-planar environment by two trans-O atoms belonging to two monodentate 5-hy-droxy-isophthalate (hip) dianions and two trans nicotinamide pyridyl N-donor atoms from monodentate protonated pendant N-(pyridin-4-yl)nicotinamide (4-pnaH) ligands. The protonated 4-pyridyl-amine groups engage in N-H(+)⋯O(-) hydrogen-bond donation to unligated hip O atoms to construct supra-molecular chain motifs parallel to [100]. Water mol-ecules of crystallization, situated between the chains, engage in O-H⋯O hydrogen bonding to form supra-molecular layers and the overall three-dimensional network structure.

| S-EPMC3884997 | biostudies-literature

Aqua-bis-(4-chloro-2-hy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')zinc(II).

Project description:In the title compound, [Zn(C(7)H(4)ClO(3))(2)(C(12)H(8)N(2))(H(2)O)], the Zn(II) cation is coordinated by two 4-chloro-2-salicylate anions, one 1,10-phenanthroline ligand and one water mol-ecule in a square-pyramidal coordination geometry; the Zn cation lies 0.4591 (11) Å from the basal plane. The benzene rings of the anions are involved in π-π stacking. The centroid-centroid distance between parallel benzene rings of adjacent mol-ecules is 3.9017 (17) Å, and the centroid-centroid distance between benzene and pyridine rings of adjacent mol-ecules is 3.584 (2) Å. Intra-molecular O-H⋯O hydrogen bonding is present.

| S-EPMC3151932 | biostudies-literature

Aquabis(benzoato-κO)bis-(1H-imidazole-κN)copper(II) monohydrate.

Project description:In the title compound, [Cu(C(7)H(5)O(2))(2)(C(3)H(4)N(2))(2)(H(2)O)]·H(2)O, the Cu(II) atom is in a distorted square-pyramidal environment. The mol-ecules are assembled into double chains extending along [010] by N-H⋯O hydrogen bonds. These double chains are linked by O-H⋯O hydrogen bonds, forming layers parallel to (02); the layers are linked into a three-dimensional network by van der Waals inter-actions.

| S-EPMC2968978 | biostudies-literature

Bis(μ-2,4-dihy-droxy-benzoato-κO:O')bis-[aqua-(2,4-dihy-droxy-benzoato-κO)(1,10-phenanthroline-κN,N')cadmium(II)].

Project description:In the title centrosymmetric dimeric Cd(II) complex, [Cd(2)(C(7)H(5)O(4))(4)(C(12)H(8)N(2))(2)(H(2)O)(2)], the Cd(II) cation is coord-inated by a bidentate phenanthroline (phen) ligand, three dihy-droxy-benzoate (dhba) anions and one water mol-ecule in a distorted CdN(2)O(4) octa-hedral geometry. Among the dhba anions, two anions bridge two Cd(II) cations to form the dimeric complex with significant different Cd-O bond distances of 2.2215 (19) and 2.406 (2) Å. The centroid-centroid distance of 3.4615 (19) Å between two nearly parallel benzene rings of the dhba and phen ligands coordinating to the same Cd(II) cation indicates the existence of intra-molecular π-π stacking in the complex. Extensive O-H⋯O hydrogen bonding and inter-molecular weak C-H⋯O hydrogen bonding help to stabilize the crystal structure. One hy-droxy group of the monodentate dhba ligand is disordered over two sites with a site-occupancy ratio of 0.9:0.1.

| S-EPMC3006915 | biostudies-literature

Bis(4-meth-oxy-benzoato)-κO,O';κO-bis-(nicotinamide-κN)zinc(II).

Project description:The asymmetric unit of the title complex, [Zn(C(8)H(7)O(3))(2)(C(6)H(6)N(2)O)(2)], contains three crystallographically independent mol-ecules with similar configurations. The Zn(II) cation is coordinated by two N atoms of two nicotinamide ligands and three O atoms from two 4-meth-oxy-benzoate anions in a distorted trigonal-bipyramidal geometry. In each independent mol-ecule, one Zn-O bond distance [2.5181 (12), 2.5931 (12) and 2.4085 (12) Å for the three mol-ecules] is significantly longer than the other two. In the crystal structure, extensive N-H⋯O and C-H⋯O hydrogen bonding links the mol-ecules into a three-dimensional network. π-π contacts between the pyridine rings and between the pyridine and benzene rings [centroid-centroid distances = 3.7655 (9) and 3.8453 (10) Å, respectively] further stabilize the crystal structure.

| S-EPMC3007960 | biostudies-literature

Diaqua-bis(2-chloro-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

Project description:The title Ni(II) complex, [Ni(C(7)H(4)ClO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom located on an inversion centre. The mol-ecule contains two 2-chloro-benzoate (CB) and two nicotinamide (NA) ligands and two water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 29.48 (16)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.16 (5)°. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into infinite chains. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.952 (1) Å] may further stabilize the crystal structure. There is also a C-H⋯π inter-action.

| S-EPMC2968958 | biostudies-literature

Bis(4-ethyl-benzoato-κO)bis-(nicotin-amide-κN)zinc(II).

Project description:The title Zn(II) complex, [Zn(C(9)H(9)O(2))(2)(C(6)H(6)N(2)O)(2)], contains two 4-ethyl-benzoate and two nicotinamide monodentate ligands, leading to a distorted tetrahedral coordination of the Zn(II) ion. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 10.33 (13) and 2.38 (11)°, while opposite pyridine and benzene rings are oriented at dihedral angles of 68.46 (5) and 81.09 (6)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network. C-H⋯O inter-actions also occur as well as two weak C-H⋯π inter-actions involving the benzene rings.

| S-EPMC3051993 | biostudies-literature

Bis(acetato-κO,O')[2,6-bis-(1H-pyrazol-3-yl-κN)pyridine-κN]manganese(II).

Project description:In the title complex, [Mn(CH(3)CO(2))(2)(C(11)H(9)N(5))], the Mn(II) atom is coordinated by the pyridine N atom and two pyrazole N atoms from a 2,6-bis-(pyrazol-3-yl)pyridine ligand and four O atoms from two bidentate acetate ligands. The complex mol-ecules are linked by inter-molecular N-H⋯O hydrogen bonds into a chain along [010]. π-π inter-actions between the pyridine rings and between the pyrazole rings [centroid-centroid distances = 3.772 (2) and 3.546 (2) Å] connect the chains.

| S-EPMC3099944 | biostudies-literature

Tetra-μ-2-methyl-benzoato-κO:O'-bis-[(ethanol-κO)copper(II)].

Project description:In the title dinuclear complex, [Cu(2)(C(8)H(7)O(2))(4)(C(2)H(5)OH)(2)], four 2-methyl-benzoato anions form a cage around two Cu(II) ions in a syn-anti configuration. Two ethanol mol-ecules coordinate the Cu atoms in apical positions, giving an overall square-pyramidal coordination geometry. The Cu⋯Cu separation is 2.600 (1) Å. In the crystal, mol-ecules are assembled into chains extending in [001] through O-H⋯O hydrogen bonds.

| S-EPMC3246983 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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