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Aqua-bis(3,5-dimethyl-1H-pyrazole-κN)(oxalato-κO,O')copper(II).

ABSTRACT: In the title compound, [Cu(C(2)O(4))(C(5)H(8)N(2))(2)(H(2)O)], the Cu(II) atom is coordinated in a slightly distorted square-pyramidal geometry by two N atoms belonging to the two 3,5-dimethyl-1H-pyrazole ligands, two O atoms of the oxalate anion providing an O,O'-chelating coordination mode, and an O atom of the water mol-ecule occupying the apical position. The crystal packing shows a well defined layer structure. Intra-layer connections are realised through a system of hydrogen bonds while the nature of the inter-layer inter-actions is completely hydro-phobic, including no hydrogen-bonding inter-actions.

SUBMITTER: Buvailo AI

PROVIDER: S-EPMC2914925 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(acetato-κO,O')bis-(3,5-dimethyl-1H-pyrazole-κN)copper(II).

Project description:In the title compound, [Cu(C(2)H(3)O(2))(2)(C(5)H(8)N(2))(2)], the Cu(II) atom has a distorted tetra-gonal-bipyramidal geometry, with the equatorial plane formed by two N atoms belonging to two 3,5-dimethyl-1H-pyrazole ligands and two O atoms from two acetate anions. The second O atoms of the acetate groups provide elongated Cu-O axial contacts, so that the acetates appear to be coordinated in a pseudo-chelate fashion. The pyrazole ligands are situated in cis positions with respect to each other. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯O hydrogen bonds, forming a one-dimensional chain.

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Aqua-bis-(3,5-dimethyl-1H-pyrazole-?N)(oxydiacetato-?O,O',O'')copper(II) dihydrate.

Project description:In the title compound, [Cu(C(4)H(4)O(5))(C(5)H(8)N(2))(2)(H(2)O)]·2H(2)O, the Cu(II) cation assumes a distorted octa-hedral coordination geometry formed by two 3,5-dimethyl-1H-pyrazole ligands, one oxydiacetate (ODA) dianion and one coordinated water mol-ecule. The tridentate ODA ligand chelates to the Cu cation in a facial configuration with a longer Cu-O bond [2.597?(3)?Å], and both chelating rings display envelope conformations. In the mol-ecule, the two pyrazole rings are twisted with respect to each other at a dihedral angle of 57.5?(3)°. Extensive inter-molecular O-H?O and N-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC3120427 | biostudies-literature

Chloridotris(3,5-dimethyl-1H-pyrazole-?N)(formato-?O)copper(II)-dichlorido-bis(3,5-dimethyl-1H-pyrazole-?N)copper(II) (2/1).

Project description:The asymmetric unit of the title compound, [Cu(CHO(2))Cl(C(5)H(8)N(2))(3)](2)·[CuCl(2)(C(5)H(8)N(2))(2)] or 2[A]·[B], contains one A mol-ecule and one half-molecule of B, located on a centre of inversion. The Cu(II) environments in A and B are different. In A, the Cu(II) atom is coordinated by three N atoms from three 3,5-dimethyl-1H-pyrazole (L) ligands, one O atom from a formate ligand and a chloride anion in an axial position [Cu-Cl = 2.4275?(7)?Å] in a distorted tetra-gonal-pyramidal geometry. The Cu(II) atom in B is coordinated by two N atoms from two L ligands and two chloride anions [Cu-Cl = 2.2524?(6)?Å] in a distorted square-planar geometry. In the crystal, inter-molecular N-H?O hydrogen bonds link mol-ecules A into centrosymmetric dimers. Inter-molecular N-H?Cl hydrogen bonds further link these dimers with the B mol-ecules, forming chains propagating in [101].

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Tetra-kis(3,5-dimethyl-1H-pyrazole-κN)(nitrato-κO,O')cadmium(II) nitrate.

Project description:The title compound, [Cd(NO(3))(C(5)H(8)N(2))(4)]NO(3), was prepared by reaction of cadmium nitrate and 3,5-dimethyl-pyrazole in ethanol solution. The Cd atom adopts a distorted cis-CdO(2)N(4) octa-hedral geometry involving four dimethylpyrazole molecules and one bidentate nitrate anion. The mol-ecular structure and packing are stabilized by N-H⋯O and C-H⋯O inter- and intra-molecular hydrogen-bonding inter-actions.

| S-EPMC2959841 | biostudies-literature

catena-Poly[[[aqua-copper(II)]-bis-[μ-bis-(3,5-dimethyl-1H-pyrazol-4-yl) selenide-κN:N]] dichloride monohydrate].

Project description:In the title compound, {[Cu(C(10)H(14)N(4)Se)(2)(H(2)O)]Cl(2)·H(2)O}(n), the Cu(II) ion, lying on a twofold rotation axis, has a square-pyramidal geometry constituted by four N atoms of pyrazolyl groups in the basal plane and an apical O atom of a water mol-ecule. A pair of bis-(3,5-dimethyl-1H-pyrazol-4-yl) selenide ligands bridge the Cu centers into a polymeric double-chain extending along [001]. The chloride anions are involved in inter-molecular N-H⋯Cl and O-H⋯Cl hydrogen bonds, which link the chains into a three-dimensional network.

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Dibromidobis(3,5-dimethyl-1H-pyrazole-κN)cobalt(II).

Project description:In the mononuclear title complex, [CoBr(2)(C(5)H(8)N(2))(2)], the Co(II) atom is coordinated by two N atoms from two monodentate 3,5-dimethyl-pyrazole ligands and two Br atoms in a highly distorted tetra-hedral geometry. In the crystal, the complex mol-ecules are linked by inter-molecular N-H⋯Br hydrogen bonds into chains along [101]. An intra-molecular N-H⋯Br hydrogen bond is also present.

| S-EPMC3246924 | biostudies-literature

The cocrystal μ-oxalato-κO,O:O,O-bis-(aqua-(nitrato-κO){[1-(2-pyridyl-κN)eth-ylidene]hydrazine-κN}copper(II)) μ-oxalato-κO,O:O,O-bis-((methanol-κO)(nitrato-κO){[1-(2-pyridyl-κN)eth-ylidene]hydrazine-κN}copper(II)) (1/1).

Project description:The title cocrystal, [Cu(2)(C(2)O(4))(NO(3))(2)(C(7)H(9)N(3))(2)(H(2)O)(2)][Cu(2)(C(2)O(4))(NO(3))(2)(C(7)H(9)N(3))(2)(CH(4)O)(2)], is a 1:1 cocrystal of two centrosymmetric Cu(II) complexes with oxalate dianions and Schiff base ligands. In each mol-ecule, the Cu(II) centre is in a distorted octa-hedral cis-CuN(2)O(4) environment, the donor atoms of the N,N'-bidentate Schiff base ligand and the bridging O,O'-bidentate oxalate group lying in the equatorial plane. In one mol-ecule, a monodentate nitrate anion and a water mol-ecule occupy the axial sites, and in the other, a monodentate nitrate anion and a methanol mol-ecule occupy these sites. In the crystal structure, inter-molecular N-H⋯O, O-H⋯O and N-H⋯N hydrogen bonds link the mol-ecules into a network. Weak intra-molecular N-H⋯O inter-actions are also observed.

| S-EPMC2960478 | biostudies-literature

Aqua-bis-(methacrylato-κO)bis(pyridine-κN)copper(II).

Project description:In the crystal structure of the title complex, [Cu(C(4)H(5)O(2))(2)(C(5)H(5)N)(2)(H(2)O)], the Cu(II) cation is located on a twofold rotation axis and coordinated by two methyl-acrylate anions, two pyridine ligands and one water mol-ecule in a distorted square-pyramidal geometry. The coordinated water mol-ecule is also located on the twofold axis. In the crystal structure O-H⋯O hydrogen bonds link the mol-ecules, forming chains along the c axis.

| S-EPMC2977558 | biostudies-literature

Tris(3,5-dimethyl-1H-pyrazole-κN)(pyridine-2,6-dicarboxyl-ato-κO,N,O)cobalt(II) monohydrate.

Project description:The reaction of Co(NO(3))(2)·3H(2)O with pyridine-2,6-dicarboxylic acid and 3,5-dimethyl-1H-pyrazole in a 1:1:3 molar ratio affords the title complex, [Co(C(7)H(3)NO(4))(C(5)H(8)N(2))(3)]·H(2)O. The Co(II) atom is coordinated by one pyridine-2,6-dicarboxyl-ate chelating ligand and three 3,5-dimethyl-1H-pyrazole ligands in a distorted octa-hedral geometry. Hydrogen-bonding interactions involving the coordinated carboxylate group, 3,5-dimethyl-1H-pyrazole and water help to consolidate the crystal structure.

| S-EPMC2969004 | biostudies-literature

Bis(2,2'-bi-1H-imidazole-κN,N)bis-(dimethyl sulfoxide-κO)copper(II) bis-(tetra-fluoridoborate).

Project description:In the title copper(II) salt, [Cu(C(6)H(6)N(4))(2)(C(2)H(6)OS)(2)](BF(4))(2), the Jahn-Teller distorted octa-hedral coordination sphere of copper is formed from four 2,2'-bi-1H-imidazole N atoms and two dimethyl sulfoxide O atoms. The Cu atom lies on a center of inversion. N-H⋯O and N-H⋯F hydrogen bonds give rise to a one-dimensional structure. The BF(4) (-) anion is disordered over two sites in a 0.671 (10):0.329 (10) ratio.

| S-EPMC3008059 | biostudies-literature

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