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

乙基(3E)-5-(4-氯苯基)-3-{[(4-氯苯基)甲酰胺基]亚氨基}-7-甲基-2H,3H,5H-[1,3]噻唑并[3,2-a]嘧啶-6-羧酸酯的晶体结构和Hirshfeld表面分析

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Abstract

In the title mol-ecule, C(23)H(20)Cl(2)N(4)O(3)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 bc 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.

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