Bis{N'-[3-(4-nitro-phen-yl)-1-phenyl-prop-2-en-1-yl-idene]-N-phenyl-carbamimido-thio-ato}zinc(II): crystal structure, Hirshfeld surface analysis and computational study.

The title zinc bis-(thio-semicarbazone) complex, [Zn(C(22)H(17)N(4)O(2)S)(2)], comprises two N,S-donor anions, leading to a distorted tetra-hedral N(2)S(2) donor set. The resultant five-membered chelate rings are nearly planar and form a dihedral angle of 73.28†(3)°. The configurations about the endocyclic- and exocyclic-imine bonds are Z and E, respectively, and that about the ethyl-ene bond is E. The major differences in the conformations of the ligands are seen in the dihedral angles between the chelate ring and nitro-benzene rings [40.48†(6) cf. 13.18†(4)°] and the N-bound phenyl and nitro-benzene ring [43.23†(8) and 22.64†(4)°]. In the crystal, a linear supra-molecular chain along the b-axis direction features amine-N-H⋯O(nitro) hydrogen bonding. The chains assemble along the 2(1)-screw axis through a combination of phenyl-C-H⋯O(nitro) and π(chelate ring)-π(phen-yl) contacts. The double chains are linked into a three-dimensional architecture through phenyl-C-H⋯O(nitro) and nitro-O⋯π(phen-yl) inter-actions.