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

In the title molecule, C 23 H 20 Cl 2 N 4 O 3 S, 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...

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Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2022-08, Vol.78 (8), p.846-850
Main Authors: Mohamed, Shaaban K., Mague, Joel T., Akkurt, Mehmet, Alfayomy, Abdallah M., Seri, Sahar M. Abou, Abdel-Raheem, Shaban A. A., Ul-Malik, Mokhtar A. Abd
Format: Article
Language:English
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Summary:In the title molecule, C 23 H 20 Cl 2 N 4 O 3 S, 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.
ISSN:2056-9890
2056-9890
DOI:10.1107/S205698902200603X