Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thia-zol-5-yl)ethan-1-one

Acta Crystallogr E Crystallogr Commun. 2023 Sep 8;79(Pt 10):890-894. doi: 10.1107/S2056989023007181. eCollection 2023 Oct 1.

Abstract

In the title compound, C6H8N2OS, all atoms except for the methyl H atoms are coplanar, with a maximum deviation of 0.026 (4) Å. In the crystal, pairs of mol-ecules are linked by N-H⋯N hydrogen bonds, forming R 2 2(8) ring motifs. Dimers are connected by N-H⋯O hydrogen bonds, forming layers parallel to the (102) plane. Consolidating the mol-ecular packing, these layers are connected by C-H⋯π inter-actions between the center of the 1,3-thia-zole ring and the H atom of the methyl group attached to it, as well as C=O⋯π inter-actions between the center of the 1,3-thia-zole ring and the O atom of the carboxyl group. According to a Hirshfeld surface study, H⋯H (37.6%), O⋯H/H⋯O (16.8%), S⋯H/H⋯S (15.4%), N⋯H/H⋯N (13.0%) and C⋯H/H⋯C (7.6%) inter-actions are the most significant contributors to the crystal packing.

Keywords: Hirshfeld surface analysis; crystal structure; dimers; hydrogen bonds; thia­zole derivatives.