Back to Search Start Over

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

Authors :
Elnur Z. Huseynov
Mehmet Akkurt
Ivan Brito
Ajaya Bhattarai
Rovnag M. Rzayev
Khammed A. Asadov
Abel M. Maharramov
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 79, Iss 10, Pp 890-894 (2023)
Publication Year :
2023
Publisher :
International Union of Crystallography, 2023.

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.

Details

Language :
English
ISSN :
20569890
Volume :
79
Issue :
10
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.53eef3f12d28446cb7971a571c95a73c
Document Type :
article
Full Text :
https://doi.org/10.1107/S2056989023007181