Synthesis, crystal structure and Hirshfeld analysis of the bis-{(E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethylidene]-N-ethyl-hydrazine-1-carbo-thio-amide-κS}di-chlorido-mercury(II) complex.

The title compound, [HgCl2(C12H15N3O2S)2], was synthesized by the reaction of (E)-2-[1-(benzo[d][1,3]dioxol-5-yl)ethyl-idene]-N-ethyl-hydrazine-1-carbo-thio-amide [common name: 3',4'-(methyl-enedi-oxy)aceto-phenone 4-ethyl-thio-semicarbazone] with mercury(II) chloride in a 2:1 molar ratio at ambient temperature, using ethanol as solvent. A white solid was isolated and colourless single crystals of the title compound for the SC-XRD analysis were obtained from a solution in (methane-sulfin-yl)methane (common name: dimethyl sulfoxide, DMSO) with a hexane overlay. The HgII metal center is fourfold coordinated in a distorted tetra-hedral geometry by two neutral thio-semicarbazone derivatives, acting as κS-donors, and two chlorido ligands. The complex mol-ecule exhibits a sequence of four intra-molecular hydrogen-bonded rings, formed by two inter-actions of the N-H⋯Cl type, with graph-set motifs of S(6) and showing a chelate-like coordination environment around the metal center, and two additional inter-actions of the N-H⋯N type with S(5) graph-set motifs. In the crystal, the mol-ecules are linked via N-H⋯Cl inter-molecular inter-actions along the c-axis, forming a hydrogen-bonded ribbon-like supra-molecular arrangement that resembles a zigzag pattern along the c-axis direction, and with the Cl atoms acting as bridges between intra- and inter-molecular hydrogen bonds. The Hirshfeld surface analysis suggests that the major contributions for the crystal cohesion are the H⋯H (40.4%), H⋯Cl/Cl⋯H (14.5%), H⋯C/C⋯H (11.3%), H⋯O/O⋯H (10.6%) and H⋯S/S⋯H (9.2%) inter-molecular contacts, with the surface being mapped over the d norm, shape-index and curvedness properties.