Crystal structure and Hirshfeld surface analysis of ethyl (3E)-5-(4-chlorophenyl)-3-{[(4-chlorophenyl)formamido]imino}-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Acta Crystallographica Section E: Crystallographic Communications, vol.78, pp.846-850, 2022 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 78
- Publication Date: 2022
- Doi Number: 10.1107/s205698902200603x
- Journal Name: Acta Crystallographica Section E: Crystallographic Communications
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.846-850
- Keywords: crystal structure, hydrogen bond, thiazole, pyrimidine, Hirshfeld surface analysis, ANTICANCER ACTIVITY, 1,3,4-OXADIAZOLE
- Open Archive Collection: AVESIS Open Access Collection
- Kayseri University Affiliated: No
Abstract
© 2022 IUCr.In the title molecule, C23H20Cl2N4O3S, the thiazole ring is planar while the pyrimidine unit fused to it adopts a screw-boat conformation. In the crystal, thick sheets parallel to the bc plane are formed by N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds together with π-π interactions between the formamido carbonyl groups and the thiazole rings. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (30.9%), Cl⋯H/H⋯Cl (20.7%), C⋯H/H⋯C (16.8%) and O⋯H/H⋯O (11.4%) interactions.