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Dichloridobis(4-methyl-3,5-diphenyl-1H-pyrazole-?N)copper(II).

ABSTRACT: The asymmetric unit of the title compound, [CuCl(2)(C(16)H(14)N(2))(2)], comprises half of the complex. The Cu(II) atom lies on a crystallographic twofold rotation axis and shows a significantly distorted tetra-hedral coordination geometry. The dihedral angle between the phenyl rings is 74.3?(2)°. The crystal structure is stabilized by inter-molecular ?-? inter-actions [centroid-centroid distances = 3.635?(2)-3.803?(3)?Å].

SUBMITTER: Hossaini Sadr M

PROVIDER: S-EPMC3238775 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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Dichloridobis(4-methyl-3,5-diphenyl-1H-pyrazole-κN)copper(II).

Hossaini Sadr Moayad M Soltani Behzad B

Acta crystallographica. Section E, Structure reports online 20111130 Pt 12

The asymmetric unit of the title compound, [CuCl(2)(C(16)H(14)N(2))(2)], comprises half of the complex. The Cu(II) atom lies on a crystallographic twofold rotation axis and shows a significantly distorted tetra-hedral coordination geometry. The dihedral angle between the phenyl rings is 74.3 (2)°. The crystal structure is stabilized by inter-molecular π-π inter-actions [centroid-centroid distances = 3.635 (2)-3.803 (3) Å]. ...[more]

PMID: 22199652

Similar Datasets

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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Bis(4-methyl-3,5-diphenyl-1H-pyrazole-?N)silver(I) nitrate.

Project description:In the title complex, [Ag(C(16)H(14)N(2))(2)]NO(3), the geometry around the Ag(I) ion is T-shaped with two short Ag-N bonds to the pyrazole ligand and one long Ag-O bond to the nitrate anion. The crystal structure is stabilized by inter-molecular N-H?O, C-H?O and C-H?? inter-actions.

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1-Benzoyl-3,5-diphenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(22)H(18)N(2)O, the pyrazole ring is almost planar (r.m.s. deviation = 0.0098 Å) and its mean plane makes dihedral angles of 62.2 (2), 87.2 (2) and 8.0 (2)° with the phenyl and benzoyl rings, respectively. The crystal packing is stabilized by π-π stacking inter-actions [centroid-centroid distance = 3.658 (2) Å] and weak inter-molecular C-H⋯O hydrogen bonds.

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Project description:In the title compound, [Co(II)Cl(2)(C(6)H(10)N(2))(2)], a pair of 3,4,5-trimethyl-pyrazoles act as monodentate ligands. Two Cl(-) anions are also bonded directly to the Co(II) atom, which has a CoN(2)Cl(2) chromophore in a slightly distorted tetra-hedral geometry. The two mol-ecules in the asymmetric unit are related by an approximate twofold rotation roughly parallel to the a axis. The amino H atom in the pyrazole ring participates in weak N-H⋯Cl hydrogen bonds to form chains that propagate roughly parallel to the c axis.

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Tetra-?-acetato-?O:O'-bis-[(3,5-di-methyl-1H-pyrazole-?N)-copper(II)].

Project description:The dinuclear centrosymmetric title compound, [Cu(2)(CH(3)CO(2))(4)(C(5)H(8)N(2))(2)], has a distorted square-pyramidal coordination geometry around each Cu(II) atom in which four O atoms from the bridging acetate ligands form the basal plane while two N atoms from the pyrazole ligands occupy the apical positions. The crystal has two half mol-ecules in the asymmetric unit with a Cu?Cu distance of 2.6762?(4)?Å. Disorder was found for two O atoms and two C atoms of one acetate ligand and refined with occupancies of 0.265?(7) and 0.735?(7). The crystal also features mol-ecules linked through two N-H?O hydrogen bonds resulting in one-dimensional chains extending along the crystallographic b axis.

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Bis(acetato-?O,O')bis-(3,5-dimethyl-1H-pyrazole-?N)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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3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C16H16N2, the dihydro-pyrazole ring adopts a shallow envelope conformation, with the C atom bearing the phenyl group displaced by 0.298?(2)?Å from the other atoms (r.m.s. deviation = 0.015?Å). The dihedral angles between the four near coplanar atoms of the central ring and the N- and C-bonded phenyl groups are 13.49?(13) and 82.22?(16)°, respectively.

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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.

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Dimethyl 1-cyano-methyl-1H-pyrazole-3,5-dicarboxyl-ate.

Project description:The title mol-ecule, C(9)H(9)N(3)O(4), syhthesized from 1H-pyrazole-3,5-dicarboxylic acid and 2-bromo-acetonitrile, is approximately planar; the inter-planar angles between the pyrazole ring and the mean planes of the two carboxylate units and the cyanomethyl unit are 4.49?(10), 5.56?(9) and 5.03?(19)°, respectively. In the crystal, inversion dimers linked by pairs of weak C-H ?O bonds occur, and the packing is further stabilized by aromatic ?-? stacking [centroid-centroid separation = 3.793?(4)?Å].

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