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Crystal structure of tetra-kis-(μ-caproato-κ(2) O:O')bis-[(4-cyano-pyridine-κN (1))copper(II)].

ABSTRACT: The title dinuclear complex, [Cu2(C6H11O2)4(C6H4N2)2], has a paddle-wheel structure. The two crystallographically independent Cu(II) atoms are each in a distorted square-pyramidal environment, in which four O atoms from the four bridging caproate ligands form the basal plane and the pyridine N atom of the 4-cyano-pyridine ligand occupies the apical position. The Cu⋯Cu distance is 2.6055 (9) Å. One of the alkyl chains of the caproate ligands is disordered over two sets of sites, with occupancies of 0.725 (5) and 0.275 (5). In the crystal, two pairs of C-H⋯N hydrogen bonds connect the mol-ecules into chains along [11-1] and C-H⋯O hydrogen bonds link the chains into a three-dimensional network.

SUBMITTER: Baruah S

PROVIDER: S-EPMC4645092 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Tetra-kis(pyridine-κN)bis-(tetrafluorido-borato-κF)copper(II).

Project description:In the title complex, [Cu(BF4)2(C5H5N)2], the Cu(II) ion is in an octa-hedral coordination environment and is surrounded by four pyridine and two tetra-fluoridoborate mol-ecules. The four pyridine mol-ecules are coordinated to the copper ion through their N atoms in the equatorial plane and display a right-handed screw arrangement around the Cu(II) ion. The remaining two trans positions in the octa-hedron are occupied by the BF4 (-) anions, each coordinating weakly through an F atom. The crystal packing shows a two-dimensional sheet structure parallel to the ab plane that is formed by C-H⋯F hydrogen-bonding inter-actions.

| S-EPMC3793688 | biostudies-literature

Crystal structure of tetra-kis-(μ-2,4,6-tri-methyl-benzoato-κ(2) O:O')bis-[(nicotinamide-κN (1))copper(II)].

Project description:In the title binuclear Cu(II) complex, [Cu2(C10H11O2)4(C6H6N2O)2], the two Cu(II) cations [Cu⋯Cu = 2.5990 (5) Å] are bridged by four 2,4,6-tri-methyl-benzoate (TMB) anions. The four nearest O atoms around each Cu(II) cation form distorted square-planar arrangements and the distorted square-pyramidal coordinations are completed by the pyridine N atoms of nicotinamide mol-ecules at distances of 2.164 (2) and 2.165 (2) Å, respectively. The Cu(II) cations are displaced by -0.2045 (3) and 0.2029 (3) Å from the corresponding planes formed by the nearest four O atoms. In the mol-ecule, the dihedral angles between the planes of the benzene rings and the adjacent carboxyl-ate groups are 80.6 (2), 51.4 (2), 24.4 (2) and 32.5 (2)°, while the planes of the pyridine rings are oriented at a dihedral angle of 11.28 (10)°. In the crystal, bifurcated N-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules, enclosing R 2 (2)(8) and R 4 (4)(8) ring motifs, into a three-dimensional network. The structure contains a solvent-accessible void of 72 Å(3), but there is no solvent mol-ecule located within this void. The crystal studied was an inversion twin refined with a minor component of 0.488 (8).

| S-EPMC4571374 | biostudies-literature

Tetra-kis(μ-acetato-κ(2)O:O')-bis-[(3-pyridine-carboxaldehyde-κN')]dicopper(II)(Cu-Cu).

Project description:The binuclear title compound, [Cu(2)(CH(3)CO(2))(4)(C(6)H(5)NO)], is located about a center of inversion. The Cu(II) atoms are connected [Cu-Cu = 2.6134 (5) Å] and bridged by four acetate ligands. Their distorted octa-hedral coordination geometry is completed by a terminal pyridine N atom of a 3-pyridincarboxaldehyde ligand. In the crystal, the complex mol-ecules are linked by C-H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to the ab plane. These networks are linked via C-H⋯O hydrogen bonds involving inversion-related 3-pyridinecarboxaldehyde ligands, forming a three dimensional supra-molecular architecture.

| S-EPMC3515103 | biostudies-literature

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| S-EPMC3238779 | biostudies-literature

Crystal structures of (1,4,7,10-tetra-aza-cyclo-dodecane-κ(4) N)bis-(tri-cyano-methanido-κN)nickel and (1,4,7,10-tetra-aza-cyclo-dodecane-κ(4) N)(tri-cyano-methanido-κN)copper tri-cyano-methanide.

Project description:The structures of two mononuclear transition-metal complexes with tri-cyano-methanide (tcm(-)) and 1,4,7,10-tetra-aza-cyclo-dodecane (cyclen) ligands, [Ni(C4N3)2(C8H20N4)], (I), and [Cu(C4N3)(C8H20N4)](C4N3), (II), are reported. In the neutral complex (I), the nickel cation is coordinated by one cyclen ligand and two monodentate N-bound tcm(-) anions in a distorted octa-hedral geometry. The tcm(-) ligands are mutually cis. The Cu(II) atom in (II) displays a distorted tetra-gonal-pyramidal geometry, with the four N-donor atoms of the cyclen ligand in the equatorial plane, and one tcm(-) anion bound through a single N atom in an axial site, forming a monocation. The second tcm(-) molecule acts as a counter-ion not directly coordinating to the copper cation. In both (I) and (II), extensive series of N-H⋯N and C-H⋯N hydrogen bonds generate three-dimensional network structures.

| S-EPMC4459349 | biostudies-literature

Tetra-kis(μ-3-chloro-benzoato-κ(2) O:O')bis-[(N,N-di-ethyl-nicotinamide-κN (1))copper(II)].

Project description:In the title centrosymmetric binuclear Cu(II) complex, [Cu2(C7H4ClO2)4(C10H14N2O)2], the two Cu(II) cations [Cu⋯Cu = 2.6314 (4) Å] are bridged by four 3-chloro-benzoate (CB) anions. The four carboxyl-ate O atoms around each Cu(II) cation form a distorted square-planar arrangement, the distorted square-pyramidal coordination geometry being completed by the pyridine N atom of the N,N-di-ethyl-nicotinamide (DENA) mol-ecule. The dihedral angle between the benzene ring and the carboxyl-ate group is 4.49 (11)° in one of the independent CB ligands and 12.00 (10)° in the other. The benzene rings of the independent CB ligands are oriented at a dihedral angle of 84.13 (6)°. In the crystal, weak C-H⋯O hydrogen bonds link the binuclear complex mol-ecules into supra-molecular chains running along [101].

| S-EPMC3793677 | biostudies-literature

Pyridinium bis-(pyridine-κN)tetra-kis-(thio-cyanato-κN)ferrate(III).

Project description:In the title compound, (C5H6N)[Fe(NCS)4(C5H5N)2], the Fe(III) ion is coordinated by four thio-cyanate N atoms and two pyridine N atoms in a trans arrangement, forming an FeN6 polyhedron with a slightly distorted octa-hedral geometry. Charge balance is achieved by one pyridinium cation bound to the complex anion via N-H⋯S hydrogen bonding. The asymmetric unit consists of one Fe(III) cation, four thio-cyanate anions, two coordinated pyridine mol-ecules and one pyridinium cation. The structure exhibits π-π inter-actions between pyridine rings [centroid-centroid distances = 3.7267 (2), 3.7811 (2) and 3.8924 (2) Å]. The N atom and a neighboring C atom of the pyridinium cation are statistically disordered with an occupancy ratio of 0.58 (2):0.42 (2).

| S-EPMC3684869 | biostudies-literature

Tetra-kis-(μ-benzoato-κO:O')bis{[4-(di-methyl-amino)-pyridine-κN]zinc(II)}.

Project description:In the centrosymmetric binuclear title complex, [Zn(2)(C(7)H(5)O(2))(4)(C(7)H(10)N(2))(2)], the Zn atoms [Zn⋯Zn = 3.0037 (6) Å] are bridged by four benzoate ligands. Each of the Zn atoms assumes an approximately square-pyramidal environment, with four O atoms in a plane and the pyridine N atom at the apical site.

| S-EPMC3051476 | biostudies-literature

catena-Poly[[[tetra-kis-(4-methyl-pyridine-κN)copper(II)]-μ-sulfato-κO:O'] 4.393-hydrate].

Project description:The structure of the title compound, {[Cu(SO(4))(C(6)H(7)N)(4)]·4.393H(2)O}(n), consists of Cu(2+) ions surrounded in a square-planar fashion by 4-methyl-pyridine ligands, forming two crystallographically independent Cu{H(3)C(C(5)H(4)N)}(4) units that are both located on crystallographic inversion centers. The Cu(4-methyl-pyridine)(4) units are, in turn, connected with each other via bridging sulfate anions, leading to the formation of infinite [Cu{H(3)C(C(5)H(4)N)}(4)SO(4)](n) zigzag chains along [001]. The completed coordination spheres of the Cu(2+) ions are slightly distorted octa-hedral. The axial Cu-O bonds are elongated [average length = 2.42 (4) Å] compared to the equatorial Cu-N bonds [average length = 2.043 (2) Å]. The inter-stitial space between the chains is filled with uncoordinated water mol-ecules that consolidate the structure through O-H⋯O hydrogen bonding. One of the five crystallographically independent solvent water mol-ecules is partially occupied with an occupancy factor of 0.396 (4). Due to hydrogen bonding between symmetry-equivalent water mol-ecules across inversion centers, several of the water H atoms are disordered in 1:1 ratios over mutually exclusive positions. The crystal under investigation was found to be non-merohedrally twinned in a 0.789 (1):0.211 (1) ratio by a 180° rotation around the reciprocal b axis.

| S-EPMC3051987 | biostudies-literature

Tetra-kis(4-amino-pyridine-κN)dichlorido-copper(II) monohydrate.

Project description:The asymmetric unit of the title compound, [CuCl(2)(C(5)H(6)N(2))(4)]·H(2)O, contains two crystallographically independent complex mol-ecules and two water mol-ecules. The Cu(II) ion in each mol-ecule is six-coordinated in an elongated octa-hedral geometry, with the equatorial plane defined by four pyridine N atoms of four amino-pyridine ligands and the axial positions occupied by two Cl atoms. In the crystal structure, mol-ecules are linked into a three-dimensional framework by C-H⋯Cl, O-H⋯Cl, N-H⋯O, N-H⋯Cl and N-H⋯N hydrogen bonds and C/N-H⋯π inter-actions involving the pyridine rings.

| S-EPMC2961768 | biostudies-literature

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