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

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

Acta Crystallographica Section E: Crystallographic Communications, cilt.79, ss.890-894, 2023 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 79
  • Basım Tarihi: 2023
  • Doi Numarası: 10.1107/s2056989023007181
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.890-894
  • Anahtar Kelimeler: crystal structure, dimers, Hirshfeld surface analysis, hydrogen bonds, thiazole derivatives
  • Erciyes Üniversitesi Adresli: Evet

Özet

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—HN 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 Oπ 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%), OH/H'O (16.8%), SH/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.