El Moutaouakil Ala Allah Abderrazzak, Massera Chiara, Guerrab Walid, Alsubari Abdulsalam, Mague Joel T, Ramli Youssef
Laboratory of Medicinal Chemistry Drug Sciences Research Center Faculty of Medicine and Pharmacy Mohammed V University in Rabat Morocco.
Dipartimento di Scienze Chimiche, della Vita e della Sostenibilità Ambientale, Università di Parma, Parco Area delle Scienze 17/A 43124 Parma, Italy.
Acta Crystallogr E Crystallogr Commun. 2025 Aug 5;81(Pt 9):801-805. doi: 10.1107/S205698902500698X. eCollection 2025 Sep 1.
In the title mol-ecule, 3-ethyl-2-(methyl-sulfan-yl)-5,5-diphenyl-3-imidazol-4(5)-one, CHNOS, the two substituent phenyl rings are inclined of 59.50 (7) and 83.53 (8)° with respect to the plane of the five-membered ring. The -methyl group lies in this plane while the ethyl group is nearly perpendicular to it. In the crystal, weak C-H⋯O hydrogen bonds form inversion dimers, which pack conventional van der Waals contacts. A Hirshfeld surface analysis was performed, showing the predominance of H⋯H and C⋯H/H⋯C contacts.
在标题分子3-乙基-2-(甲基硫烷基)-5,5-二苯基-3-咪唑-4(5)-酮(CHNOS)中,两个取代苯环相对于五元环平面的倾斜角度分别为59.50 (7)°和83.53 (8)°。甲基位于该平面内,而乙基几乎与之垂直。在晶体中,弱的C—H⋯O氢键形成了反演二聚体,这些二聚体通过常规的范德华接触堆积。进行了 Hirshfeld 表面分析,结果表明H⋯H和C⋯H/H⋯C接触占主导。