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

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

Acta Crystallographica Section E: Crystallographic Communications, cilt.78, ss.846-850, 2022 (ESCI) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 78
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1107/s205698902200603x
  • Dergi Adı: Acta Crystallographica Section E: Crystallographic Communications
  • Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
  • Sayfa Sayıları: ss.846-850
  • Anahtar Kelimeler: crystal structure, hydrogen bond, thiazole, pyrimidine, Hirshfeld surface analysis, ANTICANCER ACTIVITY, 1,3,4-OXADIAZOLE
  • Kayseri Üniversitesi Adresli: Hayır

Özet

© 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.