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

Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor, Malaysia.
Acta Crystallographica Section E Structure Reports Online (Impact Factor: 0.35). 03/2012; 68(Pt 3):m316-7. DOI: 10.1107/S1600536812006952
Source: PubMed

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.

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    ABSTRACT: In the structure of the title compound, C(20)H(24)N(2)S(2), the central CN(2)S(2) atoms are planar (r.m.s. deviation = 0.0205 Å) but both benzene rings are twisted out of this plane forming dihedral angles of 23.03 (6) and 84.75 (4)° (tol-yl); the n-butyl group occupies a position normal to the plane [N-C-C-C torsion angle = -84.33 (16)°]. The conformation of the imine bond [1.2888 (18) Å] is E. The syn arrangement of the thione S and amino H atoms enables the formation of N-H⋯S hydrogen bonds between centrosymmetrically related mol-ecules. These lead to eight-membered {⋯HNC=S}(2) synthons which are further stabilized by proximate C-H⋯S interactions. The resulting dimeric aggregates are connected into a supra-molecular chain along the c axis by C-H⋯π(tol-yl) inter-actions.
    Acta Crystallographica Section E Structure Reports Online 06/2011; 67(Pt 6):o1370-1. · 0.35 Impact Factor

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