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

In the title mol-ecule, C H Cl N O S, the thia-zole ring is planar while the pyrimidine unit fused to it adopts a screw-boat conformation. In the crystal, thick sheets parallel to the plane are formed by N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds together with π-π inter-actions between the formamido carb...

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Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2022-08, Vol.78 (Pt 8), p.846
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 mol-ecule, C H Cl N O S, the thia-zole ring is planar while the pyrimidine unit fused to it adopts a screw-boat conformation. In the crystal, thick sheets parallel to the plane are formed by N-H⋯N, C-H⋯N and C-H⋯O hydrogen bonds together with π-π inter-actions between the formamido carbonyl groups and the thia-zole 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%) inter-actions.
ISSN:2056-9890
2056-9890
DOI:10.1107/S205698902200603X