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Dichlorido(3,5,5'-trimethyl-1,3'-bi-1H-pyrazole-κN,N)copper(II).

ABSTRACT: In the title complex, [CuCl(2)(C(9)H(12)N(4))], the Cu(II) atom exhibits a distorted square-planar coordination geometry involving two chloride ions and two N-atom donors from the bipyrazole ligand. The chelate ring including the Cu(II) atom is essentially planar, with a maximum deviation of 0.0181 (17) Å for one of the coordinated N atoms. This plane forms a dihedral angle of 30.75 (6)° with the CuCl(2) plane. In the crystal, each pair of adjacent mol-ecules is linked into a centrosymmetric dimer by N-H⋯Cl hydrogen bonds. The crystal structure is stabilized by inter-molecular C-H⋯N and C-H⋯Cl hydrogen bonds and weak slipped π-π stacking inter-actions between symmetry-related mol-ecules, with an inter-planar separation of 3.439 (19) Å and a centroid-centroid distance of 3.581 (19) Å.

SUBMITTER: El Ghayati L

PROVIDER: S-EPMC3051990 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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Dichlorido(3,5,5'-trimethyl-1,3'-bi-1H-pyrazole-κN,N)copper(II).

El Ghayati Lhoussaine L El Ammari Lahcen L Labd Taha Mohamed M Tjiou El Mostafa el M

Acta crystallographica. Section E, Structure reports online 20110212 Pt 3

In the title complex, [CuCl(2)(C(9)H(12)N(4))], the Cu(II) atom exhibits a distorted square-planar coordination geometry involving two chloride ions and two N-atom donors from the bipyrazole ligand. The chelate ring including the Cu(II) atom is essentially planar, with a maximum deviation of 0.0181 (17) Å for one of the coordinated N atoms. This plane forms a dihedral angle of 30.75 (6)° with the CuCl(2) plane. In the crystal, each pair of adjacent mol-ecules is linked into a centrosymmetric dim ...[more]

PMID: 21522255

Similar Datasets

Chloridotris(3,5-dimethyl-1H-pyrazole-κN)(formato-κO)copper(II)-dichlorido-bis(3,5-dimethyl-1H-pyrazole-κN)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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Dichloridobis(3,4,5-trimethyl-1H-pyrazole-κN)cobalt(II).

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trans-Bis(thio-cyanato-κN)tetra-kis-(3,4,5-trimethyl-1H-pyrazole-κN)nickel(II)-3,4,5-trimethyl-1H-pyrazole (1/1).

Project description:In the title compound, [Ni(NCS)(2)(C(6)H(10)N(2))(4)]·C(6)H(10)N(2), the asymmetric unit comprises a Ni(II) complex and a co-crystallised mol-ecule of 3,4,5-trimethyl-1H-pyrazole (PzMe(3)). The Ni(II) atom is coordinated by four PzMe(3) mol-ecules and two thio-cyanate anions to define a trans N(4)S(2) distorted octa-hedral geometry. A number of intra-molecular N-H⋯N, N-H⋯S and C-H⋯N inter-actions contribute to the stability of the complex. The crystal structure is stabilized by inter-molecular N-H⋯S inter-actions, which link neighbouring mol-ecules into chains along the a axis.

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Bis[2,3,4-trimethyl-5-[(3,4,5-trimethyl-2H-pyrrol-2-yl-idene-κN)meth-yl]-1H-pyrrolato-κN]copper(II).

Project description:In the title complex, [Cu(C(15)H(19)N(2))(2)] or [Cu(L(2))] (HL is 3,3',4,4',5,5'-hexa-methyl-pyrromethene), the Cu(II) atom is coordinated by four N atoms [Cu-N 1.939 (2)-1.976 (2) Å] from two L ligands in a distorted tetra-hedral geometry. The mean planes of the CuN(2)C(3) metallocyclic rings form a dihedral angle of 72.73 (6)°. In the L ligands, the pyrrole rings are inclined to each other at dihedral angles of 3.03 (7) and 9.83 (7)°. The crystal packing exhibits weak inter-molecular C-H⋯π inter-actions, which form chains in [100].

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Bis(2,2'-bi-1H-imidazole-κN,N)(thio-cyanato-κN)copper(II) chloride.

Project description:In the title salt, [Cu(NCS)(C(6)H(6)N(4))(2)]Cl, the Cu(II) atom adopts a five-coordinated square-pyramidal geometry consisting of an N atom from a thio-cyanate anion and four N atoms from two chealting biimidazole ligands. The thio-cyanate ligand occupies the axial position and is, like the Cu(II) centre, located on a mirror plane. The cation and anion are linked into a linear chain by N-H⋯S and N-H⋯Cl hydrogen bonds.

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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-κN)(oxalato-κO,O')copper(II).

Project description: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.

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