Bis[μ-3-(pyridin-2-yl)pyrazolato]bis[acetato(3,5-dimethyl-1H-pyrazole)nickel(II)]
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ABSTRACT:
SUBMITTER: Pilavadi T
PROVIDER: S-EPMC11375596 | biostudies-literature | 2024 Aug
REPOSITORIES: biostudies-literature
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Project description:The title dinuclear complex mol-ecule, [Cu2(C13H9N4)2(PF6)2], lies about an inversion center. The Cu(II) atom shows a square-pyramidal coordination geometry with the basal plane formed by four N atoms of the two bis-chelating 3,5-bis-(pyridin-2-yl)pyrazolate ions and with one F atom of the hexa-fluoro-phosphate ion in the apical position. Mol-ecules are stacked in a column along the a axis through C-H⋯F hydrogen bonds. The columns are further linked by other C-H⋯F hydrogen bonds, forming a three-dimensional network.
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Project description:The title dinuclear complex, [Fe2Br4(C13H9N4)2], which lies on an inversion center, features two approximately planar bis-(pyridin-2-yl)pyrazole (bpypz(-)) ligands [maximum deviation = 0.082?(3)?Å] and four bromide ions. Each Fe(III) ion is octa-hedrally coordinated by four N atoms of two bpypz(-) ligands and two Br ions. ?-? stacking inter-actions [centroid-centroid distances = 3.7004?(17)-4.0123?(18)?Å] are observed between pyridyl and pyrazole rings, and between pyridyl and pyridyl rings of adjacent complex mol-ecules.
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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].
| S-EPMC3120383 | biostudies-literature
Project description:In the title dinuclear complex, [Cu(2)(C(5)H(6)BrN(2))Cl(3)(C(5)H(7)BrN(2))(4)]·CH(3)CN, both Cu(II) ions are in slightly distorted square-pyramidal coordination geometries. The basal planes are defined by three N atoms from three 4-bromo-3,5-dimethyl-pyrazolate ligands, one of which is bridging, and one Cl ligand. A bridging Cl ligand forms the apical site for both Cu(II) ions. In the crystal, N-H?Cl hydrogen bonds connect complex mol-ecules into chains along [100]. Intra-molecular N-H?Cl hydrogen bonds are also observed.
| S-EPMC3344311 | biostudies-literature
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.
| S-EPMC2969789 | biostudies-literature
Project description:In the unit cell of the title compound, C(5)H(7)N(3)O, there are two conformers (A and B) which differ in the position of the oxime group with respect to the protonated pyrazole nitro-gen (trans in the A conformer and cis in the B conformer) and in the geometric parameters. The oxime group exists in the nitroso form in both conformers. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O and N-H⋯N hydrogen bonds into zigzag-like chains along the b axis.
| S-EPMC3200577 | biostudies-literature
Project description:In the title mol-ecule, C(12)H(14)N(2), the dihedral angle between the pyrazole and phenyl ring mean planes is 78.65 (19)°. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds into chains along [010].
| S-EPMC3238866 | biostudies-literature
Project description:The title compound, [Ag(C(5)H(8)N(2))(2)]SbF(6), contains an Ag(+) cation almost linearly bonded to two N atoms of dimethylpyrazole ligands [N-Ag-N = 176.54?(18)°]. The structure exhibits hydrogen bonding between the two dimethyl-pyrazole H atoms and two F atoms of one hexa-fluorido-anti-monate anion. Three relatively short Ag?F contacts [2.869?(6), 2.920?(7), and 3.094?(7)?Å] exist between the cation and three different SbF(6) (-) anions. The crystal used for data collection was found to be twinned by non-merohedry, with the two components being related by a 180° rotation around the real or reciprocal a axis. Integration resulted in 11.2% of the total peaks being assigned to component 1, 11.2% to component 2, and 77.6% to both components.
| S-EPMC3099769 | biostudies-literature
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.
| S-EPMC2914925 | biostudies-literature
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