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

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Huseynov E. Z., AKKURT M., Brito I., Bhattarai A., Rzayev R. M., Asadov K. A., ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.79, pp.890-894, 2023 (ESCI)

• Publication Type: Article / Article
• Volume: 79
• Publication Date: 2023
• Doi Number: 10.1107/s2056989023007181
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.890-894
• Azerbaijan State University of Economics (UNEC) Affiliated: Yes

Abstract

In the title compound, C6H8N2OS, all atoms except for the methyl H atoms are coplanar, with a maximum deviation of 0.026 (4) angstrom. In the crystal, pairs of molecules are linked by N-H center dot center dot center dot N hydrogen bonds, forming R-2(2)(8) ring motifs. Dimers are connected by N-H center dot center dot center dot O hydrogen bonds, forming layers parallel to the (102) plane. Consolidating the molecular packing, these layers are connected by C-H center dot center dot center dot pi 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 center dot center dot center dot pi 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 center dot center dot center dot H/H center dot center dot center dot O (16.8%), S center dot center dot center dot H/H center dot center dot center dot S (15.4%), N center dot center dot center dot H/H center dot center dot center dot N (13.0%) and C center dot center dot center dot H/H center dot center dot center dot C (7.6%) interactions are the most significant contributors to the crystal packing.