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(Acetato-?O)(acetato-?²O,O')[2-(3,5-di-methyl-1H-pyrazol-1-yl-?N²)quinoline-?N]zinc(II).

ABSTRACT: The Zn(II) atom in the title compound, [Zn(C?H?O?)?(C??H??N?)], is coordinated by an N?O? donor set defined by the quinolinyl- and pyrazolyl-N atoms of the chelating heterocyclic ligand, and three carboxyl-ate-O atoms derived from the monodentate and bidentate carboxyl-ate ligands. Distortions from the ideal square-pyramidal coordination geometry relate to the restricted bite angle of the chelating ligands, i.e. O-Zn-O = 59.65?(5) and N-Zn-N = 76.50?(6)°, and the close approach of the non-coordinating carbonyl atom [Zn?O = 2.858?(2)?Å]. In the crystal, mol-ecules are consolidated into a three-dimensional architecture by C-H?O inter-actions.

SUBMITTER: Najib MH

PROVIDER: S-EPMC3393171 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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(Acetato-κO)(acetato-κ²O,O')[2-(3,5-di-methyl-1H-pyrazol-1-yl-κN²)quinoline-κN]zinc(II).

Najib Muhd Hidayat Bin MH Tan Ai Ling AL Young David J DJ Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

The Zn(II) atom in the title compound, [Zn(C₂H₃O₂)₂(C₁₄H₁₃N₃)], is coordinated by an N₂O₃ donor set defined by the quinolinyl- and pyrazolyl-N atoms of the chelating heterocyclic ligand, and three carboxyl-ate-O atoms derived from the monodentate and bidentate carboxyl-ate ligands. Distortions from the ideal square-pyramidal coordination geometry relate to the restricted bite angle of the chelating ligands, i.e. O-Zn-O = 59.65 (5) and N-Zn-N = 76.50 (6)°, and the close approach of the non-coordi ...[more]

PMID: 22807739

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Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-?N(2))quinoline-?N]zinc.

Project description:The Zn(II) atom in the title compound, [ZnCl(2)(C(14)H(13)N(3))], is coordinated by a Cl(2)N(2) donor set defined by quinoline and pyrazole N atoms of the chelating ligand and two Cl atoms. Distortions from the ideal tetra-hedral geometry relate to the restricted bite angle of the chelating ligand [N-Zn-N = 78.54?(12)°]. In the crystal, mol-ecules are connected into a three-dimensional structure by C-H?Cl inter-actions, involving both Cl atoms, and ?-? inter-actions that occur between the pyrazole ring and each of the pyridine and benzene rings of the quinoline residue [inter-centroid distances = 3.655?(2) and 3.676?(2)?Å].

| S-EPMC3344321 | biostudies-literature

Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-?N)ethanamine-?N]zinc(II).

Project description:The amine title complex, [ZnCl(2)(C(7)H(13)N(3))], resulted from imine hydrolysis in a Schiff base compound. The Zn metal atom has a distorted tetra-hedral geometry with the most significant deviation identified in the magnitude of the N-Zn-N angle. This deviation stems from the participation of the Zn and N atoms in a six-membered metallocyclic ring. The latter is in an approximate screw-boat conformation. Two strong N-H?Cl hydrogen bonds link the mol-ecules into ribbons propagating along the b-axis direction. The ribbons contain two second-order hydrogen-bonded motifs: a chain and a ring. The chain described by the graph set notation C(2) (2)(6) is formed by one hydrogen bond going in the forward direction (donor to acceptor) and the other in the backward direction (acceptor to donor). In the ring motif R(2) (2)(8), both hydrogen bonds propagate in the forward direction.

| S-EPMC3253618 | biostudies-literature

Crystal structure of bis-{(3,5-di-methyl-pyrazol-1-yl)di-hydro-[3-(pyridin-2-yl)pyrazol-1-yl]-borato}iron(II).

Project description:The structure determination of [Fe(C13H15BN5)2] was undertaken as part of a project on the modification of the recently published spin-crossover (SCO) complex [Fe{H2B(pz)(pypz)}2] (pz = pyrazole, pypz = pyridyl-pyrazole). To this end, a new ligand was synthesized in which two additional methyl groups are present. Its reaction with iron tri-fluoro-methane-sulfonate led to a pure sample of the title compound, as proven by X-ray powder diffraction. The asymmetric unit consists of one complex mol-ecule in a general position. The FeII atom is coordinated by two tridentate N-binding {H2B(3,5-(CH3)2-pz)(pypz)}- ligands. The Fe-N bond lengths range between 2.1222?(13) and 2.3255?(15)?Å, compatible with FeII in the high-spin state, which was also confirmed by magnetic measurements. Other than a very weak C-H?N non-classical hydrogen bond linking individual mol-ecules into rows extending parallel to [010], there are no remarkable inter-molecular inter-actions.

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catena-Poly[[(acetato-?O)[4-(1H-pyrazol-3-yl)pyridine-?N]zinc]-?-acetato-?O:O'].

Project description:In the title compound, [Zn(CH(3)CO(2))(2)(C(8)H(7)N(3))](n), the Zn(II) atom is coordinated by one N atom from a 4-(1H-pyrazol-3-yl)pyridine ligand and three O atoms from two bridging and one terminal acetate ligands, forming a distorted tetra-hedral geometry. The bridging acetate ligands link the Zn atoms into a chain along [001]. N-H?O hydrogen bonds and ?-? inter-actions between the pyridine and pyrazole rings [centroid-centroid distance = 3.927?(3)?Å] connect the chains into a layer parallel to (011).

| S-EPMC3246942 | biostudies-literature

Dichlorido(3,5-dimethyl-1H-pyrazole)[(3,5-dimethyl-1H-pyrazol-1-yl)(o-tol-yl)methanone]palladium(II).

Project description:In the title compound, [PdCl(2)(C(5)H(8)N(2))(C(12)H(12)N(2)O)], the Pd atom adopts a slightly distorted trans-PdCl(2)N(2) square-planar arrangement. The different Pd-N bond lengths can be related to the the electron-withdrawing effect of the o-toluoyl group on the substituted pyrazole ligand. The complex crystallizes as centrosymmetric hydrogen-bonded dimers through N-H?Cl linkages.

| S-EPMC2915136 | biostudies-literature

Bis[2-(3,4-disulfanylphen-yl)acetato]bis-(2-methyl-1H-imidazole-?N)zinc(II).

Project description:In the title mononuclear zinc(II) complex, [Zn(C(8)H(7)O(2)S(2))(2)(C(4)H(6)N(2))(2)], the Zn(II) atom, lying on a twofold axis, is coordinated by two O atoms from two 2-(3,4-disulfanylphen-yl)acetate anions and by two N atoms from 2-methyl-imidazole ligands in a distorted tetra-hdral coordination. The crystal structure is stabilized by inter-molecular C-H?O and N-H?O hydrogen bonds and ?-? inter-actions with a centroid-centroid distance of 3.6136?(16)?Å.

| S-EPMC2970003 | biostudies-literature

(3,5-Di-tert-butyl-2-eth-oxy-benzyl-idene)[2-(3,5-di-tert-butyl-1H-pyrazol-1-yl)eth-yl]amine.

Project description:The angles within the benzene ring in the title compound, C(30)H(49)N(3)O, ranging from 116.34 (16) to 124.18 (16)°, reflect the presence of electron-donating and electron-withdrawing substituents. The angles at the two electron-donating tert-butyl substituents are smaller than 120°, at the electron-withdrawing eth-oxy substituent larger than 120°, and at the imine substituent equal to 119.59 (16)°. The latter does not reflect the electron-donating nature of the imine group due to the presence of other substituents.

| S-EPMC3414966 | biostudies-literature

Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]nickel(II)-aqua-[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid]dithio-cyanato-nickel(II) (1/1).

Project description:In the title cocrystal, [Ni(C(11)H(10)N(3)O(2))(2)]·[Ni(NCS)(2)(C(11)H(11)N(3)O(2))(H(2)O)], both Ni(II) ions are in disorted octa-hedral coordination environments. One Ni(II) ion is coordinated by four N atoms and two O atoms from two tridentate 6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate (DPP) ligands, while the other Ni(II) ion is coordinated by a tridentate 6-((3,5-dimethyl-1H-pyrazol-1-yl))picolinic acid (DPPH) ligand and by two N atoms and one O atom from two thio-cyanate and one water ligand, respectively. In the crystal structure, mol-ecules are linked by inter-molecular O-H⋯O and O-H⋯S hydrogen bonds, forming extended chains along [010].

| S-EPMC2914961 | biostudies-literature

Bis[bis-(3,5-dimethyl-1H-pyrazol-1-yl)-borato]cobalt(II).

Project description:The asymmetric unit of the title compound, [Co(C(10)H(16)BN(4))(2)], comprises one unit of the complex. The geometry around the Co(II) ion is a distorted tetra-hedron. The dihedral angles between the pyrazole rings in the two ligands are 47.19 (15) and 47.20 (16)°, while that between the coordination planes is 79.77 (7)°.

| S-EPMC3151970 | biostudies-literature

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.

| S-EPMC3200851 | biostudies-other

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