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

---

Copy For Citation

Mohamed S. K., Mague J. T., AKKURT M., Alfayomy A. M., Seri S. M. A., Abdel-Raheem S. A. A., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.78, pp.846-850, 2022 (ESCI)

• 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
• 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.