Synthesis and crystal structure analysis of bis(benzothiazole-2-thiolato-κ<i>S</i>)(1,10-phenanthroline-κ<sup>2</sup> <i>N</i>,<i>N</i>′)zinc(II)
The coordination complex [Zn(C<sub>7</sub>H<sub>4</sub>NS<sub>2</sub>)<sub>2</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)] or [Zn(MBT)<sub>2</sub>(phen)], was synthesized using ethanol solutions of Zn(CH<sub>3</sub>COO)<sub>2</sub>·2H<sub>2</sub>O, 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.
Authors
- Gulchekhra Abdullayeva
- Bаtirbаy Tоrаmbеtоv (ORCID: https://orcid.org/0000-0002-9218-5596)
- Shahlo Daminova (ORCID: https://orcid.org/0000-0003-2606-3221)
- Shakhnoza Kadirova (ORCID: https://orcid.org/0000-0002-0084-7653)
Institutions
- National Chemical Laboratory (IN)
- National University of Uzbekistan (UZ)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-06-24
- DOI
- https://doi.org/10.1107/s2056989025005468
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00