Browse
Submit Data
Databases
API
Help

Dataset Information

26 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 |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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

Project description:In the title binuclear copper(II) complex, [Cu(2)(C(7)H(3)ClNO(4))(4)(H(2)O)(2)], each of the two independent Cu(II) center is five-coordinated by four O atoms of the carboxyl-ate groups in the basal plane and one O atom of a water mol-ecule in the apical position, in a distorted square-pyramidal geometry. The Cu-Cu distance is 2.6458 (4) Å. In the crystal structure, the dinuclear units are linked into a three-dimensional network by O-H⋯O, C-H⋯O and C-H⋯Cl hydrogen bonds. One of the Cl atoms is disordered over two positions with occupancies of 0.650 (2) and 0.350 (2).

| S-EPMC2967917 | 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

catena-Poly[[(4-methyl-benzoato-κO)manganese(II)]-μ-aqua-bis-(μ-4-methyl-benzoato-κO:O')[(4-methyl-benzoato-κO)manganese(II)]-bis-(μ-N,N-diethyl-nicotinamide)-κN:O;O:N].

Project description:The asymmetric unit of the title complex, [Mn(2)(C(8)H(7)O(2))(4)(C(10)H(14)N(2)O)(2)(H(2)O)](n), contains two crystallographically independent units. In each one, the Mn(II) ions are bridged by two 4-methyl-benzoate (PMB) ligands and one water mol-ecule. In the crystal structure, each Mn(II) ion is coordinated by three PMB ligands, one water mol-ecule and two symmetry-related N,N-diethyl-nicotinamide (DENA) ligands. Symmetry-related Mn(II) ions are bridged by the N and O atoms of symmetry-related DENA ligands, forming polymeric chains parallel to [100]. The coord-ination environmnts for the Mn(II) ions are slightly distorted octa-hedral. Intra-molecular O-H⋯O hydrogen bonds link bridging water mol-ecules to the carboxyl-ate O atoms of a neigh-boring polymeric chain. In the crystal structure, π-π contacts between benzene rings [centroid-centroid distance = 3.562 (1) Å] and weak C-H⋯π inter-actions are also observed.

| S-EPMC3006929 | biostudies-literature

Tetra-kis(μ-penta-fluoro-benzoato-κO:O')bis-[(tetra-hydro-furan-κO)molybdenum(II)].

Project description:In the asymmetric unit of the title compound, [Mo(2)(C(7)F(5)O(2))(4)(C(4)H(8)O)(2)], two independent half-mol-ecules are present, which are completed by a crystallographically imposed center of inversion between the individual Mo atoms. In each mol-ecule, four penta-fluoro-benzoate anions bridge the quadruply bonded Mo(2) (4+) unit that is, in addition, axially coordinated by two O atoms of tetra-hydro-furan (THF) mol-ecules. In the two independent mol-ecules, the mean Mo-Mo bond length is 2.110 Å. Since the THF mol-ecules are equally disordered over two sets of sites, there are four different Mo-O distances in both half-mol-ecules with an overall mean of 2.542 Å. A zigzag chain is formed by π-π stacking inter-actions between penta-fluoro-phenyl rings, indicated by a centroid-centroid distance of 3.7054 (11) Å and a centroid-to-plane distance of 3.4169 (3) Å. The extension of the unit gives a three-dimensional network structure with the THF mol-ecules located in the voids.

| S-EPMC3200930 | biostudies-literature

Tetra-?-benzoato-bis-[(3-methyl-quinoline)copper(II)](Cu-Cu).

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 mol-ecule contains four bridging benzoate groups and two terminal 3-methyl-quinoline ligands. The asymmetric unit contains one and a half mol-ecules with a total of three independent Cu atoms; there is an inversion center at the mid-point of the Cu?Cu bond in one molecule. The octa-hedral coordination of each Cu atom, with four O atoms in the equatorial plane, is completed by an N atom of a 3-methyl-quinoline ligand [Cu-N = 2.190?(4)-2.203?(3)?Å] and by another Cu atom [Cu?Cu = 2.667?(1) and 2.6703?(7)?Å]. The Cu atoms are all ca 0.22?Å out of the plane of the four bonded O atoms.

| S-EPMC2960550 | biostudies-literature

Tetra-μ-acetato-κO:O'-bis-{[4-methyl-N-(4-methyl-phen-yl)pyridin-2-amine-κN]copper(II)}.

Project description:The title complex, [Cu(2)(CH(3)COO)(4)(C(13)H(14)N(2))(2)], features a binuclear mol-ecule, which lies about a crystallographic centre of inversion; the four acetate ions each bridge a pair of Cu(II) atoms. The coordination of the metal atom is distorted octa-hedral within a donor set defined by four O atoms, the heterocyclic N atom and the second Cu atom. The pyridine ring is twisted with respect to the tolyl ring and forms a dihedral angle of 35.34 (9)°. A bifurcated N-H⋯(O,O) hydrogen bond is present, linking the amine group to two carboxyl-ate O atoms derived from different acetate ions. In the crystal, C-H⋯π inter-actions link mol-ecules into a supra-molecular array in the bc plane.

| S-EPMC3007970 | biostudies-literature

Tetra-?-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

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

Project description: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.

| S-EPMC2914921 | biostudies-literature

Tetra-kis(?-2-methyl-benzoato-?O:O')bis-[(methanol-?O)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?? inter-actions.

| S-EPMC2979172 | biostudies-literature

Tetra-kis(?-4-methyl-benzoato-?O:O')bis-[(isonicotinamide-?N)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. ?-? 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

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