Synthesis and crystal structure analysis of bis-(benzo-thia-zole-2-thiol-ato-κS)(1,10-phen-anthroline-κ2 N,N')zinc(II).

The coordination complex [Zn(C7H4NS2)2(C12H8N2)] or [Zn(MBT)2(phen)], was synthesized using ethanol solutions of Zn(CH3COO)2·2H2O, 1,10-phenanthroline (phen) and 2-mercaptobenzo-thia-zole (MBTH-neutral). Single-crystal X-ray diffraction analysis revealed that the zinc atom resides on a crystallographic twofold axis within the asymmetric unit. In the complex, the zinc atom coordinates two 2-mercaptobenzo-thia-zolate (MBT; anionic form of MBTH) ligands in a monodentate fashion through their sulfur atoms, while phenanthroline acts as a bidentate ligand, chelating the zinc center. Further structural analysis, including Hirshfeld surface and two-dimensional fingerprint plot studies, indicated the presence of multiple inter-molecular inter-actions, particularly C-H⋯N and C-H⋯π interactions, contributing to the cohesion and packing of the crystal structure.