Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-2-[(1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
The title compound, C<sub>6</sub>H<sub>5</sub>N<sub>3</sub>S<sub>3</sub>, consists of two biologically relevant heterocyclic units, suggesting potential biological activity and possible use as a ligand in metal complexation. The compound crystallizes in the monoclinic space group <i>P</i>2<sub>1</sub>/<i>c</i> and features non-classical inter-molecular C-H⋯N hydrogen bonds, along with π-π stacking inter-actions that contribute to the crystal cohesion. Hirshfeld surface analysis highlights significant inter-molecular inter-actions including, among others, N⋯H/H⋯N, S⋯H/H⋯S, and S⋯C/C⋯S contacts.
Authors
- M.K. Bharty (ORCID: https://orcid.org/0000-0002-6116-2439)
- Bаtirbаy Tоrаmbеtоv (ORCID: https://orcid.org/0000-0002-9218-5596)
- Aziz Atashov
- Rajesh G. Gonnade (ORCID: https://orcid.org/0000-0002-2841-0197)
- Shakhnoza Kadirova (ORCID: https://orcid.org/0000-0002-0084-7653)
- Abdusamat Rasulov (ORCID: https://orcid.org/0009-0005-3905-5556)
- Ekaterina Kinshakova
Institutions
- National Chemical Laboratory (IN)
- Termez State University (UZ)
- Karakalpak State University (UZ)
- National University of Uzbekistan (UZ)
- Banaras Hindu University (IN)
- Academy of Scientific and Innovative Research (IN)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-06-06
- DOI
- https://doi.org/10.1107/s2056989025004980
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00