Crystal structure and Hirshfeld surface analysis of ethyl (3E)-5-(4-fluorophenyl)3-{[(4-methoxyphenyl)formamido]imino}-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate 0.25-hydrate

Mohamed, Shaaban; Mague, Joel; AKKURT, MEHMET; Alfayomy, Abdallah; Ragab, Fatma; Abd Ul-Malik, Mokhtar; Weil, M.

doi:10.1107/s2056989022006041

Crystal structure and Hirshfeld surface analysis of ethyl (3E)-5-(4-fluorophenyl)3-{[(4-methoxyphenyl)formamido]imino}-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate 0.25-hydrate

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Mohamed S. K., Mague J. T., AKKURT M., Alfayomy A. M., Ragab F. A. F., Abd Ul-Malik M. A., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.78, no.Pt 9, pp.880-884, 2022 (ESCI)

Publication Type: Article / Article
Volume: 78 Issue: Pt 9
Publication Date: 2022
Doi Number: 10.1107/s2056989022006041
Journal Name: Acta Crystallographica Section E: Crystallographic Communications
Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
Page Numbers: pp.880-884
Keywords: crystal structure, pyrimidine, thiazole, hydrogen bond, Hirshfeld surface analysis, 1,3,4-OXADIAZOLE, MONASTROL
Kayseri University Affiliated: No

Abstract

© 2022 Mohamed et al.In the title compound, C24H23FN4O4S·0.25H2O, the dihydropyrimidine ring is distinctly non-planar, with the flap C atom deviating by 0.297 (2) Å from the least-squares plane. In the crystal, zigzag chains are formed by N-HN hydrogen bonds parallel to [010] and are connected into layers parallel to (100) by O-HO, O-HF, C-HO, C-HF and C-HN hydrogen bonds. Additional C-HO hydrogen bonds connect the layers into a three-dimensional network. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from HH (42.6%), OH/HO (16.8%) and CH/HC (15.5%) contacts.