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[Aqua-bis-(nitrato-?O)copper(II)]-?-{bis-[5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl]selenide}-[diaqua-(nitrato-?O)copper(II)] nitrate monohydrate.

ABSTRACT: In the title binuclear complex, [Cu2(NO3)3(C18H16N6Se)(H2O)3]NO3·H2O, the Cu(II) ions are penta-coordinated in a tetra-gonal-pyramidal geometry. In both cases, the equatorial planes are formed by a chelating pyrazole-pyridine group, a water mol-ecule and a nitrate O atom, whereas the apical positions are occupied by a water mol-ecule for one Cu(II) ion and a nitrate O atom for the other. The organic selenide ligand adopts a trans configuration with respect to the C-Se-C plane. Numerous inter-molecular O-H?O and N-H?O hydrogen bonds between the coordinating and lattice water mol-ecules, nitrate anions and pyrazole groups are observed. ?-? stacking inter-actions between the pyridine rings [averaged centroid-centroid distance = 3.652?(5)?Å] are also present. The lattice water molecule is equally disordered over two sets of sites.

SUBMITTER: Seredyuk M

PROVIDER: S-EPMC3588734 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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[Di-aqua-sesqui(nitrato-κO)hemi(perchlorato-κO)copper(II)]-μ-{bis-[5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide}-[tri-aqua-(perchlorato-κO)copper(II)] nitrate monohydrate.

Project description:In the binuclear title complex, [Cu2(ClO4)1.5(NO3)1.5(C18H16N6Se)(H2O)5]NO3·H2O, both Cu(II) ions are hexa-coordinated by O and N atoms, thus forming axially elongated CuO4N2 octa-hedra. The equatorial plane of each octa-hedron is formed by one chelating pyrazole-pyridine fragment of the organic ligand and two water mol-ecules. The axial positions in one octa-hedron are occupied by a water mol-ecule and a monodentately coordinated perchlorate anion, while those in the other are occupied by a nitrate anion and a disordered perchlorate/nitrate anion with equal site occupancy. The pyrazole-pyridine units of the organic selenide are trans-oriented to each other with a C-Se-C angle of 96.01 (14)°. In the crystal, uncoordinated nitrate anions and the coordinating water mol-ecules are involved in O-H⋯O and N-H⋯O hydrogen bonds, forming a bridge between the pyrazole group and the coordinating water mol-ecules. Further O-H⋯O hydrogen bonds between the complex mol-ecules and a π-π stacking inter-action with a centroid-centroid distance of 3.834 (4) Å are also observed.

| S-EPMC3684879 | biostudies-literature

catena-Poly[[copper(II)-bis[?-bis(3,5-dimethyl-1H-pyrazol-4-yl) selenide]] bis(perchlorate)].

Project description:In the title compound, {[Cu(C(10)H(14)N(4)Se)(2)](ClO(4))(2)}(n), the Cu(II) ion is located on a twofold rotation axis and has a tetra-gonally distorted square-planar geometry constituted by four N atoms. A pair of bis(3,5-dimethyl-1H-pyrazol-4-yl) selenide (L) ligands bridges the copper centers into a polymeric chain extending along [001]. The perchlorate anions are involved in inter-molecular N-H?O hydrogen bonding, which links the chains into layers parallel to the bc plane.

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Project description:In the title complex, [Pb(C(9)H(11)NO(2))(2)(NO(3))(H(2)O)(2)]NO(3), the cation is a monomeric species including zwitterionic amino-acids. In both zwitterions, rotation of the NH(3) (+) groups about their C-N bonds is blocked by inter-molecular N-H⋯O hydrogen bonds. Assuming a limit for Pb-O bond lengths of 3 Å, the Pb(II) ion is coordinated by eight O atoms. Each phenyl-alaninate ligand coordinates asymmetrically, with one short and one long Pb-O bond. Coordinated water mol-ecules are also found at significantly different distances, while the bidentate nitrate ion coordinates symmetrically. The resulting [Pb(II)O(8)] core is hemi-directed, with a void placed almost trans to a carboxyl-ate group. However, the 6s(2) lone pair of the metal center can not be considered as stereochemically active, as a non-coordinating O atom of a nitrate belonging to a symmetry-related cation is placed in the empty hemisphere, with a short Pb⋯O separation of 3.035 (10) Å.

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Project description:In the monomeric title complex, [Cu(C(6)H(3)BrNO(2))(NO(3))(H(2)O)(2)], the Cu(II) ion is coordinated by a bidentate 6-bromo-picolinate ion, one nitrate ion and two water mol-ecules in a geometry inter-mediate between five- and six-coordinate. Conventional O-H⋯O hydrogen bonds link the complex mol-ecules, forming layers parallel to the ab plane.

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Bis[bis-(1H-pyrazol-1-yl)methane-κN,N](formato-κO,O')copper(II) perchlorate.

Project description:In the crystal structure of the title compound, [Cu(HCO(2))(C(7)H(8)N(4))(2)]ClO(4), the Cu(II) ion is octa-hedrally coordinated by one bidentate formate ion and two bidentate bis-(1H-pyrazol-1-yl)methane ligands. There are C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.487 (3) Å] in the crystal structure. The perchlorate anion is disordered over two positions with an occupancy ratio of 0.628 (9):0.372 (9).

| S-EPMC3246920 | biostudies-literature

Bis[(2-amino-phen-yl)methanol-κO,N]bis-(nitrato-κO)manganese(II).

Project description:In the title compound, [Mn(NO(3))(2)(C(7)H(9)NO)(2)], the Mn(II) atom (site symmetry 2) is coordinated by two N,O-bidentate (2-amino-phen-yl)methanol ligands and two monodentate nitrate anions in a distorted cis-MnN(2)O(4) octa-hedral coordination geometry. In the crystal, N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds help to establish the packing.

| S-EPMC3007911 | biostudies-literature

Bis[3-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide methanol hemisolvate.

Project description:The asymmetric unit of the title compound, C18H16N6Se·0.5CH3OH, contains two independent mol-ecules of bis-[3-methyl-5-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide with similar C-Se-C bond angles [99.30 (14) and 98.26 (13)°], and a methanol molecule of solvation. In one mol-ecule, the dihedral angles between pyrazole and neighbouring pyridine rings are 18.3 (2) and 15.8 (2)°, and the corresponding angles in the other mol-ecule are 13.5 (2) and 8.3 (2)°. In the crystal, the selenide and solvent mol-ecules are linked by classical O-H⋯N and N-H⋯N hydrogen bonds, as well as by weak C-H⋯O and C-H⋯π inter-actions, forming a three-dimensional supra-molecular architecture.

| S-EPMC3998294 | biostudies-literature

Bis(2,2'-bipyridine-κN,N')(nitrato-κO)copper(II) perchlorate.

Project description:In the title compound, [Cu(NO(3))(C(10)H(8)N(2))(2)]ClO(4), the five-coordinated Cu(II) atom has a distorted square-pyramidal CuN(4)O environment; the O atom is in the axial position whereas the N atoms from two bipyridine (bipy) ligands are in the equatorial plane. In the crystal, mol-ecules are assembled by C-H⋯O hydrogen bonding and π-π inter-actions between bipy groups [centroid-centroid distances = 3.7686 (16) and 3.7002 (16) Å] into a three-dimensional network. The nitrite anion is equally disordered over two sets of sites.

| S-EPMC3051949 | biostudies-literature

Tetra-kis[bis-(pyridin-2-yl)amine-κN (2)](nitrato-κO)silver(I).

Project description:In the title complex, [Ag(NO3)(C10H9N3)4], the nitrate ligand is found to be disordered over two sets of positions, with occupancy factors of 0.473 (5) and 0.527 (5). The Ag(I) ion is located in a square-pyramidal coordination environment formed by four N atoms from four bis-(pyridin-2-yl)amine ligands and one O atom from a nitrate ligand. Weak inter-actions between the Ag(I) ions and the nitrate anions acting in a monodentate mode [Ag⋯O = 2.791 (13) and 2.816 (9) Å for the major component of the nitrate ligand, and 2.865 (8) and 2.837 (8) Å for the minor component] link the complex mol-ecules into a chain along [001]. N-H⋯O hydrogen bonds are observed.

| S-EPMC3998263 | biostudies-literature

Diaqua-bis[2-(4-bromo-phen-yl)acetato]bis-(N,N-dimethyl-pyridin-4-amine)copper(II).

Project description:In the title compound, [Cu(C(8)H(6)BrO(2))(2)(C(7)H(10)N(2))(2)(H(2)O)(2)], the Cu(II) atom (site symmetry ) adopts a Jahn-Teller-distorted trans-CuN(2)O(4) octa-hedral coordination, with the aqua O atoms in axially extended sites. An intra-molecular O-H?O hydrogen bond helps to establish the conformation and an inter-molecular O-H?O hydrogen bond is seen in the crystal packing.

| S-EPMC2970236 | biostudies-literature

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