Bis[benzyl N′-(3-phenylprop-2-enylidene)hydrazinecarbodithioato-κ2 N′,S]zinc(II)

In the title ZnII complex, [Zn(C17H15N2S2)2], the ZnII atom lies on a twofold rotation axis. It exists in a tetrahedral geometry, chelated by two deprotonated Schiff base ligands. The dihedral angle between each ligand is 71.48 (8)°. Molecules are connected by weak C—H⋯S intermolecular interactions into chains along the c axis. The crystal structure is further stabilized by C—H⋯π interactions involving the phenyl ring of the 3-phenylprop-2-enylidene unit.

In the title Zn II complex, [Zn(C 17 H 15 N 2 S 2 ) 2 ], the Zn II atom lies on a twofold rotation axis. It exists in a tetrahedral geometry, chelated by two deprotonated Schiff base ligands. The dihedral angle between each ligand is 71.48 (8) . Molecules are connected by weak C-HÁ Á ÁS intermolecular interactions into chains along the c axis. The crystal structure is further stabilized by C-HÁ Á Á interactions involving the phenyl ring of the 3-phenylprop-2-enylidene unit.

Comment
The coordination chemistry of the ligands derived from S-benzyldithiocarbazate (SBDTC) had been of immense interests because of their intriguing coordination chemistry as well as their increasingly important biomedical properties Tarafder et al., 2001;Tarafder, Jin et al., 2002b). Synthesis (Ali & Tarafder, 1977) and structure (Shanmuga Sundara Raj et al., 2000) of SBDTC were reported. We have previously reported the Schiff bases complexes derived from dithiocarbazate derivatives 2008;Chew et al., 2004;Crouse et al., 2004;Tarafder et al., 2001Tarafder et al., , 2008Tarafder, Chew et al., 2002;Tarafder, Jin et al., 2002). In continuation of our interests, we report herein the X-ray structure of the zinc(II) complex of Schiff base ligand of SBDTC which is found to be isostructural with the copper(II) analog (Tarafder et al., 2008).
The mixture was refluxed for 10 min. The yellow precipitate, which formed, was isolated and washed with hot ethanol. The yellow solid was recrystallized from absolute ethanol (Yield: 1.52 g, 46%). The zinc complex was synthesized by adding the supplementary materials sup-2 solution of the Schiff base ligand (0.31 g, 1 mmol) in absolute ethanol (70 ml) to a solution of zinc nitrate hexahydrate (0.15 g, 0.5 mmol) in absolute ethanol (5 ml) and stirred under boiling condition for 10 min. A resultant yellow precipitate was separated and washed with hot ethanol (Yield: 0.29 g, 63%). Yellow single crystals of the title complex were crystallized from a mixture solution of chloroform/absolute ethanol (70:5 v/v) after 40 days at room temperature and further recrystallized from chloroform (40 ml) by slow evaporation at 296 K after 10 days, M.p 457-458 K.

Refinement
All H atoms were positioned geometrically and allowed to ride on their parent atoms, with d(C-H) = 0.93 Å, for CH and aromatic, 0.97 Å, for CH 2 and U iso = 1.2U eq (C). The highest residual electron density peak is located at 0.60 Å from C1 and the deepest hole is located at 0.54 Å from Zn1. Fig. 1. The asymmetric unit of the title compound, showing 50% probability displacement ellipsoids and the atomic numbering. Atoms labelled with suffix A are generated by the symmetry operation (−x, y, 1/2 − z).

Bis[benzyl N'-(3-phenylprop-2-enylidene)hydrazinecarbodithioatoκ 2 N',S]zinc(II)
Crystal data [Zn(C 17  Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > 2sigma(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.