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

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.

Source: Acta Crystallographica Section E - September 8, 2023 Category: Chemistry Authors: Huseynov, E.Z. Akkurt, M. Brito, I. Bhattarai, A. Rzayev, R.M. Asadov, K.A. Maharramov, A.M. Tags: crystal structure thiazole derivatives hydrogen bonds dimers Hirshfeld surface analysis research communications Source Type: research