Browse
Submit Data
Databases
API
Help

Dataset Information

45 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Ni SL

PROVIDER: S-EPMC3246983 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Ni Sheng-Liang SL Yu Jie-Lian JL Wang Yuan-Ling YL Lin Jian-Li JL

Acta crystallographica. Section E, Structure reports online 20111022 Pt 11

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. ...[more]

PMID: 22219803

Similar Datasets

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

Project description:In the title compound, [Cu(2)(C(8)H(7)O(2))(4)(CH(3)OH)(2)], the Cu-O bond distances are in the range 1.943 (2)-2.149 (2) Å within a sligthly distorted square-pyramidal coordination. The Cu⋯Cu separation is 2.5912 (4) Å. In the crystal, the mol-ecules are linked into polymeric chains propagating in [001] by inter-molecular O-H⋯O hydrogen bonds and C-H⋯π inter-actions.

| S-EPMC2979172 | biostudies-literature

Tetra-kis(μ-4-methyl-benzoato-κO:O')bis-[(isonicotinamide-κN)copper(II)].

Project description:In the title centrosymmetric binuclear complex, [Cu(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)], the Cu atoms [Cu⋯Cu = 2.6375 (6) Å] are bridged by four 4-methyl-benzoate (PMB) ligands. The four nearest O atoms around each Cu(II) ion form a distorted square-planar arrangement, and the distorted square-pyramidal coordination is completed by the pyridine N atom of the isonicotinamide (INA) ligand. Each Cu(II) ion is displaced by 0.2633 (1) Å from the plane of the four O atoms, with an average Cu-O distance of 1.974 (2) Å. The dihedral angles between carboxyl-ate groups and the adjacent benzene rings are 7.88 (19) and 9.68 (10)°, while the benzene rings are oriented at a dihedral angle of 85.90 (9)°. The pyridine ring is oriented at dihedral angles of 8.59 (7) and 83.89 (9)° with respect to the benzene rings. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π contacts between the benzene rings and between the pyridine and benzene rings, [centroid-centroid distances = 3.563 (2) and 3.484 (2) Å, respectively] may further stabilize the crystal structure.

| S-EPMC2983750 | biostudies-literature

Tetra-kis(μ(2)-2-methyl-3,5-dinitro-benzoato-κO:O)bis-[aqua-copper(II)] tetra-hydrate.

Project description:The title compound, [Cu(2)(C(8)H(5)N(2)O(6))(4)(H(2)O)(2)]·4H(2)O, forms a centrosymmetric paddle-wheel-type dimer with an intra-molecular Cu⋯Cu distance of 2.6540 (4) Å. The Cu(II) atom is in a square-pyramidal coordination environment formed by four O atoms of four carboxyl-ate groups and one water mol-ecule, which is located in the apical position. The carboxyl-ate groups are twisted relative to the benzene rings by 11.09 (16) and 45.55 (19)°. The nitro groups are not coplanar with the parent aromatic rings [dihedral angles = 16.2 (3)-51.45 (14)°]. O-H⋯O hydrogen bonds between the coordinated water mol-ecules and one of the nitro groups, as well as π-π stacking inter-actions [centroid-centroid distance = 3.5764 (12) Å] between the benzene rings, assemble the complex mol-ecules into a one-dimensional polymeric structure which is further extended into a three-dimensional polymeric network via O-H⋯O hydrogen bonds involving the water molecules of crystallization.

| S-EPMC3051452 | biostudies-literature

Tetra-μ-benzoato-bis-[(6-methyl-quino-line)-copper(II)].

Project description:In the title compound, [Cu(2)(C(7)H(5)O(2))(4)(C(10)H(9)N)(2)], the paddle-wheel-type dinuclear complex is constructed by four bridging benzoate groups and two terminal 6-methyl-quinoline ligands. The asymmetric unit contains one-half of the whole mol-ecule, and there is an inversion center at the mid-point of the Cu⋯Cu bond. The octa-hedral coordination of each Cu atom, with four O atoms in the equatorial plane, is completed by the N atom of the 6-methyl-quinoline mol-ecule [Cu-N = 2.212 (2) Å] and by another Cu atom [Cu⋯Cu = 2.6939 (13) Å]. The Cu atom lies 0.234 Å out of the plane of the four O atoms. The molecular packing is stabilized by one intramolecular C-H⋯O as well as C-H⋯π and π-π interactions.

| S-EPMC2961840 | biostudies-literature

Tetra-kis(μ-4-chloro-benzoato-κ(2) O:O')bis-[(ethanol-κO)copper(II)](Cu-Cu).

Project description:In the centrosymmetric dinuclear title Cu(II) complex, [Cu2(C7H4ClO2)(C2H5OH)2], the Cu-Cu distance is 2.5905 (4) Å. The two metal atoms are bridged by four 4-chloro-benzoate ligands and each has an ethanol mol-ecule in the axial position of the overall octahedral coordination environment. The crystal packing features O-H⋯O hydrogen bonds.

| S-EPMC3629496 | biostudies-literature

Tetra-μ-benzoato-bis-[(quinoxaline)copper(II)].

Project description:The paddlewheel-type centrosymmetric dinuclear title complex, [Cu(2)(C(7)H(5)O(2))(4)(C(8)H(6)N(2))(2)], contains four bridging benzoate groups and two terminal quinoxaline ligands. The octa-hedral coordination around each Cu atom, with four O atoms in the equatorial plane, is completed by an N atom of a quinoxaline mol-ecule [Cu-N = 2.2465 (18) Å] and by the second Cu atom [Cu⋯Cu = 2.668 (5) Å]. The Cu atom is 0.216 Å out of the plane of the four O atoms.

| S-EPMC2960297 | biostudies-literature

Bis(μ-4-methyl-benzoato-κO:O')bis-[aqua-(4-methyl-benzoato-κO,O')zinc(II)]-bis-(μ-4-methyl-benzoato-κO:O')bis-[(4-methyl-benzoato-κO)(nicotinamide-κN)zinc(II)]-water (1/1/2).

Project description:The crystal structure of the title compound, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)]·[Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)]·2H(2)O, consists of two kinds of dinuclear Zn(II) complexes (complex A and complex B) and uncoordinated water mol-ecules. In complex A, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)], each Zn cation is chelated by a 4-methyl-benzoate (PMB) anion and coordinated by a water mol-ecule, and is further bridged by two PMB anions in a trigonal-bipyramidal geometry. In complex B, [Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)], each Zn(II) cation is coordinated by a monodentate PMB anion and one nicotinamide (NA) ligand, and is further bridged by two PMB anions in a tetra-hedral geometry. Weak intra-mol-ecular π-π stacking between adjacent benzene rings is observed in complex B, the centroid-centroid distance being 3.710 (2) Å. Extensive O-H⋯O and N-H⋯O hydrogen bonding and weak C-H⋯O hydrogen bonding is present in the crystal structure. The crystal studied was a racemic twin; the minor twin component refined to 38%.

| S-EPMC3006769 | biostudies-literature

Tetra-kis(μ-2-methyl-benzoato)bis-[(2-methyl-benzoic acid)copper(II)].

Project description:In the title centrosymmetric dinuclear compound, [Cu(2)(C(8)H(7)O(2))(4)(C(8)H(8)O(2))(2)], four o-toluate anions form a cage around two Cu atoms in a syn-syn configuration. Two more o-toluic acid mol-ecules are apically bonded to the Cu atoms, which show a square-pyramidal coordination geometry. The acid H atoms are hydrogen bonded to the cage carboxyl O atoms [O⋯O = 2.660 (2) Å]. The mol-ecular packing forms a puckered pseudo-hexa-gonal close-packed layer in the (h00) plane, with soft inter-molecular H⋯H contacts (2.46-2.58 Å).

| S-EPMC2960998 | biostudies-literature

Octa-methyl-bis-(μ(2)-2-methyl-benzoato-κO:O')bis-(2-methyl-benzoato-κO)di-μ(3)-oxido-tetra-tin(IV).

Project description:The title compound, [Sn(4)(CH(3))(8)(C(8)H(7)O(2))(4)O(2)], is a distann-oxane derivative of 2-methyl-benzoic acid. The crystal structure is composed of centrosymmetric dimers lying about inversion centres. Both independent Sn atoms adopt distorted trigonal-bipyramidal SnC(2)O(3) coordination geometries with the basal planes consisting of two C-atoms from the methyl groups and a bridging O atom. The Sn-C and Sn-O bond lengths lie in the ranges 2.090 (2)-2.104 (3) and 2.0241 (14)-2.2561 (15) Å, respectively. The central four-membered planar Sn(2)O(2) ring [Sn⋯Sn distance = 3.2993 (2) Å] makes dihedral angles of 5.43 (11) and 59.50 (7)° with the methyl-phenyl groups, which are themselves oriented at a dihedral angle of 61.38 (8)°. Besides weak C-H⋯O and C-H⋯π inter-actions, the packing mainly features van der Waals forces between the mol-ecules.

| S-EPMC2983126 | biostudies-literature

Tetra-kis(μ-4-azido-benzoato-κO:O')bis-[(N,N-dimethyl-formamide-κO)copper(II)].

Project description:The binuclear title compound, [Cu(2)(C(7)H(4)N(3)O(2))(4)(C(3)H(7)NO)(2)], is a discrete metal-organic compound having a paddle-wheel-type structure. The Cu⋯Cu distance is 2.6366 (5) Å and an inversion center is located at the mid-point of this bond. The Cu(II) cation is coordinated by four carboxyl-ate O atoms from four 4-azido-benzoate ligands, and one O atom from a dimethyl-formamide mol-ecule, forming an overall distorted octahedral geometry when the Cu⋯Cu bond is also considered.

| S-EPMC3254312 | 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