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

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 molecules are linked by N—H...N hydrogen bonds, forming R22(8) ring motifs. Dimers are connected by N—H...O hydrogen bonds, forming layers parallel to the (102) plane. Consolidating the molecular packing, these layers are connected by C—H...π interactions between the center of the 1,3-thiazole ring and the H atom of the methyl group attached to it, as well as C=O...π interactions between the center of the 1,3-thiazole 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%) interactions are the most significant contributors to the crystal packing.

Keywords

• crystal structure
• thiazole derivatives
• hydrogen bonds
• dimers
• hirshfeld surface analysis