Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Diaqua-bis(4-methyl-benzoato-κO)zinc(II).

ABSTRACT: The Zn atom in the title mononuclear complex, [Zn(C(8)H(7)O(2))(2)(H(2)O)(2)], lies on a special position of site symmetry 2. The carboxyl-ate group binds in a monodentate manner so that the geometry is best described as tetra-hedral. Adjacent mol-ecules are linked by O-H⋯O hydrogen bonds into a three-dimensional network.

SUBMITTER: Ma DY

PROVIDER: S-EPMC2914921 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diaqua-bis(4-methyl-benzoato-κO)zinc(II).

Ma De-Yun DY Deng Guo-Hua GH Song Wen-Dong WD

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

The Zn atom in the title mononuclear complex, [Zn(C(8)H(7)O(2))(2)(H(2)O)(2)], lies on a special position of site symmetry 2. The carboxyl-ate group binds in a monodentate manner so that the geometry is best described as tetra-hedral. Adjacent mol-ecules are linked by O-H⋯O hydrogen bonds into a three-dimensional network. ...[more]

PMID: 21200606

Similar Datasets

Diaqua-bis(4-methyl-benzoato-κO,O')cadmium(II).

Project description:In the title mononuclear complex, [Cd(C(8)H(7)O(2))(2)(H(2)O)(2)], the Cd(II) atom possesses crystallographically imposed C(2) site symmetry, and is coordinated by four O atoms from two 4-methyl-benzoate ligands and two water mol-ecules, displaying a distorted octa-hedral geometry. The molecules are assembled via inter-molecular O-H⋯O hydrogen-bond inter-actions into a supra-molecular architecture.

| S-EPMC2915110 | biostudies-literature

Diaqua-bis(2-bromo-benzoato-κO)bis-(nicotinamide-κN)zinc(II).

Project description:The title Zn(II) complex, [Zn(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Zn atom on an inversion center. The mol-ecule contains two 2-bromo-benzoate (BB) and two nicotinamide (NA) ligands and two coordinated water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Zn 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 31.14 (12)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.54 (5)°. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into infinite chains. A weak C-H⋯π inter-action is also present.

| S-EPMC2977639 | biostudies-literature

Diaqua-bis(4-methyl-amino-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

Project description:The title Ni(II) complex, [Ni(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom on an inversion center. The mol-ecule contains two 4-methyl-amino-benzoate (MAB) and two nicotinamide (NA) ligands and two coordinated 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-ate group and the adjacent benzene ring is 2.09 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 66.15 (4)°. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2977638 | biostudies-literature

Bis[4-(methyl-amino)benzoato-κO]bis-(nicotinamide-κN)zinc(II).

Project description:The title zinc complex, [Zn(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)], is composed of two monodentate 4-(methyl-amino)benzoate and two monodentate nicotinamide ligands. The coordination around the Zn atom is distorted tetra-hedral. The dihedral angles between the two benzene rings and the two pyridine rings are 78.30 (6) and 68.86 (5)°. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into an infinite three-dimensional network.

| S-EPMC2968013 | biostudies-literature

Diaqua-bis(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)zinc(II).

Project description:In the centrosymmetric title complex, [Zn(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) atom is located on an inversion center. The asymmetric unit contains one 2-bromo-benzoate (BB), one diethyl-nicotinamide (DENA) ligand and one coordinating water molecule. The four O atoms in the equatorial plane around the Zn atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 85.51 (12)°, while the pyridine and benzene rings are oriented at a dihedral angle of 44.07 (6)°. In the crystal structure, O-H⋯O hydrogen bonds link the mol-ecules into infinite chains.

| S-EPMC2977549 | biostudies-literature

Diaqua-bis(2-carboxy-benzoato-κO)nickel(II).

Project description:In the title compound, [Ni(C(8)H(5)O(4))(2)(H(2)O)(2)], the Ni(II) atom lies on an inversion centre and exhibits a square-planar geometry incorporating two phthalate and two water O atoms. The nickel complex is stabilized by intra-molecular inter-actions involving water O atoms and H atoms of the phthalate groups. It forms one-dimensional zigzag chains along the b axis which are held together via π-π stacking inter-actions (3.647 Å) between the benzene rings of the phthalate groups. The adjacent chains are also hydrogen bonded, resulting in a three-dimensional supra-molecular network.

| S-EPMC2915055 | biostudies-literature

Diaqua-bis(5-bromo-2-hydroxy-benzoato)bis-(N-methyl-nicotinamide)zinc(II).

Project description:The title mononuclear complex mol-ecule, [Zn(C(7)H(4)BrO(3))(2)(C(7)H(8)N(2)O)(2)(H(2)O)(2)], has a crystallographically imposed centre of symmetry. The zinc(II) atom is coordinated by two N atoms from two N-methyl-nicotinamide ligands, two O atoms from two 5-bromo-salicylate anions and two aqua O atoms in a slightly distorted octa-hedral geometry. Intra-molecular O-H?O hydrogen-bonding inter-actions are present. In the crystal structure, mol-ecules are linked by inter-molecular O-H?O and N-H?O hydrogen bonds, forming a two-dimensional network perpendicular to [100].

| S-EPMC2983787 | biostudies-literature

(2,2'-Bipyridine-κN,N')bis-(4-methyl-benzoato-κO,O')zinc(II).

Project description:In the title compound, [Zn(C(8)H(7)O(2))(2)(C(10)H(8)N(2))], the Zn(II) atom is coordinated by four O atoms from two chelating 4-methyl-benzoate ligands and two N atoms from a 2,2'-bipyridine ligand, displaying a disordered octahedral geometry. C-H⋯O hydrogen bonds connect the complex mol-ecules into a three-dimensional supra-molecular structure.

| S-EPMC2961165 | 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

Diaqua-bis-(2-hy-droxy-5-meth-oxy-benzoato-κO)zinc.

Project description:The title compound, [Zn(C(8)H(7)O(4))(2)(H(2)O)(2)], has been synthesized by hydro-thermal methods. The Zn(II) atom, whose symmetry element is a twofold axis, is four coordinated by two O atoms from 5-meth-oxy-salicylate anions and two aqua O atoms in a distorted tetra-hedral geometry. In the crystal, mol-ecules are linked into a layer by O-H⋯O hydrogen bonds, which stabilize the packing.

| S-EPMC3200808 | 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