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Bis[4-(4-chloro-benzo-yl)-3-methyl-1-phenyl-1H-pyrazol-5-olato-κO,O']bis-(methanol-κO)nickel(II).

ABSTRACT: The mol-ecular structure of the neutral mononuclear title complex, [Ni(C(17)H(12)ClN(2)O(2))(2)(CH(3)OH)(2)], is centrosymmetric. The Ni(II) atom, which is located on an inversion center, is in a distorted octahedral coordination, defined by four O atoms from two ligands as well as two O atoms from two methanol mol-ecules. Inter-molecular O-H⋯N hydrogen bonds between the hy-droxy group of methanol and a pyrazole N atom link the mol-ecules, forming a two-dimensional network parallel to (100).

SUBMITTER: Zhang X

PROVIDER: S-EPMC3008993 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Bis(4-acetyl-3-methyl-1-phenyl-1H-pyrazol-5-olato-?O,O')bis-(N,N-dimethyl-formamide-?O)nickel(II).

Project description:The title complex, [Ni(C(12)H(11)N(2)O(2))(2)(C(3)H(7)NO)(2)], lies on on an inversion center. The Ni(II) ion is coordinated in a slightly distorted octa-hedral coordination enviroment by four O atoms from two bis-chelating 4-acety-3-methyl-1-phenyl-1H-pyrazol-5-olate ligands in the equatorial plane and two O atoms from two N,N-dimethyl-formamide ligands in the axial sites. In the crystal structure, weak inter-molecular ?-? stacking inter-actions with centroid-centroid distances of 3.7467?(13)?Å link mol-ecules into chains extending alongthe b axis.

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4-(4-Chloro-benzo-yl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 4-chloro-benzoate.

Project description:In the title compound, C(24)H(16)Cl(2)N(2)O(3), the three benzene rings are twisted with respect to the central pyrazole ring, making dihedral angles of 71.56?(9) (4-chloro-benzo-yloxy), 57.55?(8) (4-chloro-benzo-yl) and 39.33?(1)° (phen-yl).

| S-EPMC3239043 | biostudies-literature

[2,9-Bis(3,5-dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N'](methanol-κO)(nitrito-κO,O')cadmium(II) perchlorate.

Project description:In the title complex, [Cd(NO(2))(C(22)H(20)N(6))(CH(3)OH)]ClO(4), the Cd(II) ion is in a distorted penta-gonal-bipyramidal CdN(4)O(3) coordination geometry. The dihedral angles formed between the mean planes of the pyrazole rings and the phenanthroline ring system are 4.37 (19) and 5.84 (21)°. In the crystal, the anions and cations are connected by inter-molecular O-H⋯O hydrogen bonding, while pairs of weak inter-molecular C-H⋯O hydrogen bonds connect the cations into centrosymmetric dimers. In addition, there is a π-π stacking inter-action involving two symmetry-related benzene rings, with a centroid-centroid distance of 3.437 (3) Å.

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Bis(4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olato-?(2)O,O')bis-(ethanol-?O)cobalt(II).

Project description:The title compound, [Co(C(17)H(13)N(2)O(2))(2)(C(2)H(5)OH)(2)], is a Co(II) complex with two 4-benzoyl-3-methyl-1-phenyl-1H-pyrazol-5-olate (BMPP) ligands and two coordinating ethanol mol-ecules. In the asymmetric unit, there are two half mol-ecules, with the Co(II) atoms located on inversion centres. The two cobalt complexes have slightly different geometries and in one, the ethyl group of the ethanol is disordered over two sets of sites [occupancy ratio 0.757?(7):0.243?(7)]. Each BMPP ligand is deprotonated with the negative charge delocalized. The hy-droxy group of each ethanol mol-ecule forms hydrogen bonds with a pyrazole N atom in an adjacent BMPP ligand. Weaker C-H?O and C-H?N inter-actions link the mol-ecules into a three-dimensional structure.

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Bis[tris-(1H-pyrazol-1-yl-?N)methane]-nickel(II) bis-{[tris-(1H-pyrazol-1-yl-?N)methane]-tris-(thio-cyanato-?N)nickelate(II)} methanol disolvate.

Project description:Attempts to prepare the mononuclear [(tpm)Ni(II)L(3)](-1) [tpm = tris-(1H-pyrazol-1-yl)methane and L = thio-cyanate] anion yielded the methanol-solvated salt, [(tpm)(2)Ni(II)][(tpm)Ni(II)(NCS)(3)](2)·2CH(3)OH or [Ni(C(10)H(10)N(6))(2)][Ni(NCS)(3)(C(10)H(10)N(6))](2)·2CH(3)OH. The asymmetric unit consists of half a centrosymmetric bis-[tris-(1H-pyrazol-1-yl)methane]-nickel(II) cation and an octa-hedral nickelate(II) anion bound to one tpm and three L ligands, and a methanol solvent mol-ecule. One of the L ligands is disordered over two positions with occupancy factors of 0.650?(3) and 0.350?(3). There are O-H?S inter-actions between the methanol and the disordered thio-cyanate anion, and a weak C-H?O hydrogen bond between the cation and the methanol O atom.

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Bis[3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]nickel(II) tetra-hydrate.

Project description:In the title complex, [Ni(C(11)H(9)ClN(3)O(2))(2)]·4H(2)O, the Ni atom is coordinated by four N atoms and two O atoms derived from two tridentate 3-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate ligands. The cis-N(4)O(2) donor set defines a distorted octa-hedral geometry. In the crystal structure, the complex and water mol-ecules are linked by O-H⋯O hydrogen bonds.

| S-EPMC2914946 | biostudies-literature

Bis(methanol-κO)bis-(quinoline-2-carboxyl-ato-κN,O)nickel(II).

Project description:In the title complex, [Ni(C(10)H(6)NO(2))(2)(CH(3)OH)(2)], the Ni(II) ion lies on an inversion center and is coordinated by two quinoline-2-carboxyl-ate ligands in the equatorial sites and two axial methanol ligands, forming a distorted octa-hedral environment. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds into a two-dimensional network parallel to (10[Formula: see text]).

| S-EPMC3246941 | biostudies-literature

5-Chloro-1-phenyl-1H-pyrazol-4-amine.

Project description:In the crystal structure of the title compound, C(9)H(8)ClN(3), amino-pyrazole N-H?N hydrogen bonds connect the mol-ecules along the [010] direction; the chains interact with each other only by van der Waals-type inter-actions. The pyrazole and phenyl rings are inclined at a dihedral angle of 45.65?(6)°

| S-EPMC3200699 | biostudies-literature

Diaqua-bis(2-chloro-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

Project description:The title Ni(II) complex, [Ni(C(7)H(4)ClO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom located on an inversion centre. The mol-ecule contains two 2-chloro-benzoate (CB) and two nicotinamide (NA) ligands and two water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 29.48 (16)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.16 (5)°. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into infinite chains. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.952 (1) Å] may further stabilize the crystal structure. There is also a C-H⋯π inter-action.

| S-EPMC2968958 | biostudies-literature

Bis[4-(1-imino-eth-yl)-3-methyl-1-phenyl-1H-pyrazol-5-olato-?O,N]copper(II).

Project description:In the title complex, [Cu(C(12)H(12)N(3)O)(2)], the Cu(II) ion is tetra-coordinated by two N atoms and two O atoms from two bis-chelating 4-(1-imino-eth-yl)-3-methyl-1-phenyl-1H-pyrazol-5-olate ligands in a square-planar geometry. The two N atoms and two O atoms around the Cu(II) atom are trans to each other, as the Cu(II) atom lies on an inversion centre. The six-membered ring composed of the Cu, an O, an N and three C atoms of the ligand and the pyrazole ring is nearly planar, the largest deviation being 0.037?(4)?Å for an N atom. In the crystal, weak inter-molecular C-H?N hydrogen-bonding inter-actions link the mol-ecules into chains along the c axis.

| S-EPMC3200712 | biostudies-literature

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