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{S-Benzyl 3-[(6-methyl-pyridin-2-yl)-methyl-idene]dithio-carbazato}nickel(II) monohydrate.

ABSTRACT: The structure of the title compound, [Ni(C(15)H(14)N(3)S(2))(2)]·H(2)O, has one mol-ecule in the asymmetric unit, along with a solvent water mol-ecule. The two different Schiff base moieties coordinate to the central Ni(II) ion as tridentate N,N',S-chelating ligands, creating a six-coordinate distorted octa-hedral environment [the smallest angle being 77.43?(7)° and the widest angle being 169.99?(7)°]. The mean planes of the two ligands are nearly orthogonal to each other with an angle of 89.53?(6)°. The packing of the complex is supported by O-H?N and O-H?S hydrogen bonding between the solvent water mol-ecule and the uncoordinated N and S atoms of neighbouring ligands.

SUBMITTER: Omar SA

PROVIDER: S-EPMC3297266 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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{S-Benzyl 3-[(6-methyl-pyridin-2-yl)-methyl-idene]dithio-carbazato}nickel(II) monohydrate.

Omar Siti Aminah SA Ravoof Thahira B S A TB Mohamed Tahir Mohamed Ibrahim MI Crouse Karen A KA

Acta crystallographica. Section E, Structure reports online 20120224 Pt 3

The structure of the title compound, [Ni(C(15)H(14)N(3)S(2))(2)]·H(2)O, has one mol-ecule in the asymmetric unit, along with a solvent water mol-ecule. The two different Schiff base moieties coordinate to the central Ni(II) ion as tridentate N,N',S-chelating ligands, creating a six-coordinate distorted octa-hedral environment [the smallest angle being 77.43 (7)° and the widest angle being 169.99 (7)°]. The mean planes of the two ligands are nearly orthogonal to each other with an angle of 89.53 ...[more]

PMID: 22412456

Similar Datasets

Bis{S-benzyl 3-[(6-methyl-pyridin-2-yl)methyl-idene]dithio-carbazato}nickel(II).

Project description:The asymmetric unit of the title compound, [Ni(C(15)H(14)N(3)S(2))(2)], consists of two independent mol-ecules with similar configurations. Each Ni(2+) cation is coordinated in a cis-mode by two tridentate N,N',S-chelating Schiff base ligands, creating a distorted octa-hedron [the smallest angle being 77.57?(7)° and the widest being 168.97?(7)° for one mol-ecule, and 78.04?(7) and 167.55?(7)° for the second mol-ecule]. The dihedral angle between the mean coordination planes of the two ligands is 86.76?(7)° for one and 89.99?(7)° for the second mol-ecule. ?-? inter-actions between neighbouring pyridine rings with plane-to-plane distances of 3.540?(1) and 3.704?(1)?Å are observed.

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Crystal structure of bis-[S-hexyl 3-(4-methyl-benzyl-idene)di-thio-carbazato-?(2) N (3),S]nickel(II).

Project description:In the title complex, [Ni(C15H21N2S2)2], the Ni(II) atom exhibits a square-planar coordination geometry and is located on an inversion centre leading to a trans configuration of the N,S-chelating ligands. In the crystal, the complex mol-ecules stack at a distance of 4.6738?(3)?Å along the a axis, which exclude any significant inter-actions between the aromatic rings.

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Project description:The title compound, C(13)H(10)FN(3)O·H(2)O, exists in the E conformation with respect to the azomethane C=N double bond. The mol-ecule is close to planar with a maximum deviation of 0.286?(2)?Å. The pyridine ring is essentially coplanar with the central C(= O)N(2)C unit [dihedral angle = 2.02?(3)°] and the phenyl ring exhibits a dihedral angle of 14.41?(10)° with respect to the central unit. The crystal structure features O-H?N, N-H?O and O-H?O hydrogen-bond inter-actions between the solvent water and the benzohydrazide mol-ecules, as well as C-H?O hydrogen bonds and C-F?? [3.0833?(18)?Å] inter-actions.

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