Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Wang A

PROVIDER: S-EPMC3254312 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Wang Aidong A

Acta crystallographica. Section E, Structure reports online 20111214 Pt 1

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. ...[more]

PMID: 22259343

Similar Datasets

Tetra-kis(?-naphthalene-1-acetato-?O:O')bis-[(N,N-dimethyl-formamide-?O)copper(II)].

Project description:The asymmetric unit of the title compound, [Cu(2)(C(12)H(9)O(2))(4)(C(3)H(7)NO)(2)], contains two independent centrosymmetric dinuclear copper(II) complexes. The central paddle-wheel units are formed by four bridging bidentate naphthalene-1-acetate ligands with two dimethyl-formamide ligands in the axial positions. The unique Cu(II) ions have slightly distorted square-pyramidal coordination geometries. One of the naphthalene rings is disordered over two sets of sites, with refined occpancies of 0.535?(4) and 0.465?(4).

| S-EPMC3297287 | 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

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

Bis(tetra-ethyl-ammonium) bis-(dimethyl-formamide)-tetra-kis-(?-N,2-dioxido-benzene-1-carboximidato)penta-copper(II).

Project description:The title compound, (C(8)H(20)N)(2)[Cu(5)(C(7)H(4)NO(3))(4)(C(3)H(7)NO)(2)], abbreviated as (TEA)(2)[Cu(II)(12-MC(Cu(II) ) (N(shi))-4](DMF)(2) [where TEA is tetra-ethyl-ammonium, shi(3-) is salicyl-hydroximate (or N,2-dioxidobenzene-1-carboximidate) and DMF is N,N-dimethyl-formamide], contains five Cu(II) ions. Four of the Cu(II) ions are members of a metallacrown ring (MC), while the fifth Cu(II) is bound in a central cavity. Two of the ring Cu(II) ions are five-coordinate with distorted square-pyramidal geometry. The coordination sphere is composed of two shi(3-) ligands and one DMF mol-ecule. The other two ring Cu(II) ions and the central Cu(II) ion are four-coordinate with square-planar geometry. The coordination spheres of these ions are only composed of shi(3-) ligands. The charge of the [Cu(II)(12-MC(Cu(II) ) (N(shi))-4](2-) unit is balanced by two uncoordinated TEA(+) countercations. The structure shows severe static disorder with the metallacrown, the tetra-ethyl-ammonium cations and the DMF solvent mol-ecule all disordered over each of two mutually exclusive sites, with occupancy rates for the major moieties of 0.6215?(6) for the metallacrown, 0.759?(3) for the tetra-ethyl-ammonium ion and 0.537?(6) for the DMF mol-ecules. The metallacrown unit is located on a crystallographic inversion center and disordered about a non-crystallographic twofold axis. The DMF mol-ecule and the tetra-ethyl-ammonium ion are disordered about a non-crystallographic twofold axis and pseudo-inversion center, respectively.

| S-EPMC3099866 | biostudies-other

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-?-benzoato-bis-[(3,5-dimethyl-pyridine)-copper(II)].

Project description:In the centrosymmetric binuclear title compound, [Cu(2)(C(7)H(5)O(2))(4)(C(7)H(9)N)(2)], the Cu(II) atom is coordinated by four O atoms from benzoate anions and one N atom from a dimethyl-pyridine ligand. A paddle-wheel-like dimer is formed by two Cu(II) ions and four benzoate anions with two 3,5-dimethyl-pyridine ligands at the axial position of the Cu(II) ions. The dihedral angle between the two unique benzene rings is 84.26?(16)°. The dihedral angles between the pyridine ring and the benzene rings are 61.67?(15) and 34.27?(14)°. There is ?-? stacking of inversion-related pyridine rings, with a centroid-centroid distance of 3.833?(2)?Å.

| S-EPMC3343836 | biostudies-other

Tetra-kis(?-4-methyl-benzoato-?O:O')bis-{[4-(dimethyl-amino)pyridine-?N]zinc(II)}.

Project description:In the centrosymmetric title binuclear complex, [Zn(2)(C(8)H(7)O(2))(4)(C(7)H(10)N(2))(2)], the Zn atoms [Zn?Zn = 3.0287?(6)?Å] are bridged by four 4-methyl-benzoate ligands. The four nearest O atoms around each Zn(II) atom form a distorted square-planar arrangement with the distorted square-pyramidal coordination completed by the pyridine N atom of the 4-(dimethyl-amino)pyridine ligand. In the crystal structure, weak inter-molecular C-H?O inter-actions link the mol-ecules into infinite chains. The chains are further linked by weak C-H?? inter-actions, forming a three-dimensional network.

| S-EPMC2977470 | 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-[(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

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