Crystal structure and Hirshfeld surface analysis of ethyl (3 E )-5-(4-fluoro-phen-yl)3-{[(4-meth-oxy-phen-yl)formamido]-imino}-7-methyl-2 H ,3 H ,5 H -[1,3]thia-zolo[3,2- a ]pyrimidine-6-carboxyl-ate 0.25-hydrate.

Autor: Mohamed SK; Chemistry and Environmental Division, Manchester Metropolitan University, Manchester, M1 5GD, England.; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt., Mague JT; Department of Chemistry, Tulane University, New Orleans, LA 70118, USA., Akkurt M; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey., Alfayomy AM; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Al-Azhar University, Assiut, 71524, Egypt., Ragab FAF; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Cairo University, Kasr El-Aini Street, Cairo, PO Box, 11562, Egypt., Abd Ul-Malik MA; Chemistry Department, Faculty of Applied Science, Taiz University, Taiz, Yemen.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2022 Aug 09; Vol. 78 (Pt 9), pp. 880-884. Date of Electronic Publication: 2022 Aug 09 (Print Publication: 2022).
DOI: 10.1107/S2056989022006041
Abstrakt: In the title compound, C 24 H 23 FN 4 O 4 S·0.25H 2 O, the di-hydro-pyrimidine 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-H⋯N hydrogen bonds parallel to [010] and are connected into layers parallel to (100) by O-H⋯O, O-H⋯F, C-H⋯O, C-H⋯F and C-H⋯N hydrogen bonds. Additional C-H⋯O 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 H⋯H (42.6%), O⋯H/H⋯O (16.8%) and C⋯H/H⋯C (15.5%) contacts.
(© Mohamed et al. 2022.)
Databáze: MEDLINE
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