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

ABSTRACT: 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).

SUBMITTER: Lim EK

PROVIDER: S-EPMC2967917 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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-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

Di-μ-benzoato-κO,O':O';κO:O,O'-bis[aqua-bis-(benzoato-κO,O')(dimethylformamide-κO)europium(III)].

Project description:The title dimeric complex, [Eu(2)(C(7)H(5)O(2))(6)(C(3)H(7)NO)(2)(H(2)O)(2)], is centrosymmetric, implying that pairs of equivalent Eu(3+) ions and ligands lie trans to each other and that the two Eu(3+) ions have exactly the same coordination environment. Each Eu(3+) ion is nine-coordinated by two bidentate benzoate ligands, two bridging tridentate chelating benzoate ligands, and one dimethylformamide and one water molecule. The coordination polyhedron of each Eu(3+) ion can be described with a distorted monocapped square-anti-prismatic geometry. The mol-ecular structure is stabilized by intra- and inter-molecular hydrogen bonds between the water mol-ecules and benzoate O atoms.

| S-EPMC3246994 | 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

Tetra-kis(?(2)-2-methyl-3,5-dinitro-benzoato-?O: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 ?-? 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

catena-Poly[[bis-(5-chloro-2-nitro-benzoato)copper(II)]-bis-(?-5-chloro-2-nitro-benzoato)].

Project description:In the title compound, [Cu(2)(C(7)H(3)ClNO(4))(4)](n), the coordination geometry around each Cu(II) ion is distorted square-pyramidal. The CuO(5) coordination is formed by five O atoms from the carboxyl-ate groups of five 5-chloro-2-nitro-benzoate ligands. This coordination leads to the formation of centrosymmetric binuclear units which are edge-shared, forming a linear chain along the a axis, with the Cu(II) ions alternately separated by 2.5891?(4) and 3.1763?(4)?Å. The chains are inter-connected into a three-dimensional network by C-H?O inter-actions.

| S-EPMC2968352 | 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

Tetra-kis[μ-4-(dimethyl-amino)benzoato-κO:O']bis-[(N,N-diethyl-nicotinamide-κN)zinc(II)].

Project description:The title mol-ecule, [Zn(2)(C(9)H(10)NO(2))(4)(C(10)H(14)N(2)O)(2)], is a centrosymmetric binuclear complex, with Zn atoms [Zn⋯Zn' = 2.8927 (4) Å] bridged by four carboxyl-ate groups from the dimethyl-amino-benzoate (DMAB) ligands. The four carboxyl O atoms around the Zn atom form a distorted square-planar arrangement; the distorted square-pyramidal coordination geometry is completed by the pyridine N atom of the N,N-diethyl-nicotinamide (DENA) ligand. The Zn atom is displaced by 0.3326 (2) Å from the plane of the four O atoms, with an average Zn-O distance of 2.0416 (12) Å. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 5.31 (8) and 11.00 (9)°, while the pyridine ring is oriented at dihedral angles of 66.26 (6) and 37.88 (7)° with respect to the benzene rings. Weak intra-molecular C-H⋯O and inter-molecular C-H⋯π inter-actions are present.

| S-EPMC2971944 | 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(?-4-chloro-benzoato-?(2) O:O')bis-[(ethanol-?O)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

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