Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(2,4-dimethylbenzyl)sulfanyl]pyrimidine-4,6-diamine
The title compound, C<sub>13</sub>H<sub>16</sub>N<sub>4</sub>S (DAMP-DMB), was synthesized through the reaction of 2,4-di-methyl-benzyl chloride with di-amino-pyrimidine-thiol. Single-crystal X-ray diffraction analysis confirmed that the compound crystallizes in the monoclinic crystal system, space group <i>P</i>2<sub>1</sub>/<i>c</i>. The asymmetric unit contains a single mol-ecular entity. Structural examination revealed the presence of a dimeric arrangement consolidated by N-H⋯N hydrogen-bonding inter-actions. Additionally, Hirshfeld surface analysis indicated that H⋯H, N⋯H, C⋯H, and S⋯H contacts account for 98.9% of the total inter-molecular inter-actions to the Hirshfeld surface.
Authors
- R. Ya. Okmanov (ORCID: https://orcid.org/0000-0003-2154-0746)
- Bаtirbаy Tоrаmbеtоv (ORCID: https://orcid.org/0000-0002-9218-5596)
- A. D. Matchanov (ORCID: https://orcid.org/0000-0002-4176-3990)
- Khamid U. Khodjaniyazov (ORCID: https://orcid.org/0000-0001-7688-2474)
- T.S. Kholikov
- Gulrukh Salieva (ORCID: https://orcid.org/0009-0008-2006-9060)
- Shakhnoza Kadirova (ORCID: https://orcid.org/0000-0002-0084-7653)
Institutions
- Academy of Sciences Republic of Uzbekistan (UZ)
- Yunusov Institute of the Chemistry of Plant Substances (UZ)
- Tashkent Medical Academy (UZ)
- National University of Uzbekistan (UZ)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-03-25
- DOI
- https://doi.org/10.1107/s2056989025002440
- Primary Topic
- Phenothiazines and Benzothiazines Synthesis and Activities
- Type
- article
- Field-Weighted Citation Impact
- 0.00