Acta crystallographica. Section E, Crystallographic communications · 2026
Synthesis, crystal structure and Hirshfeld surface analysis of 2-(ethyl-sulfan-yl)-3-(2-methyl-prop-yl)-5,5-diphenyl-4,5-di-hydro-3H-imidazol-4-one.
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El Moutaouakil Ala Allah Abderrazzak, Massera Chiara, Alsubari Abdulsalam, Mague Joel T, Ramli Youssef
Аннотация
In the title compound, C21H24N2OS, are reported. The imidazolone ring is essentially planar, and the coordination geometry about the N-substituted nitro-gen atom is also nearly planar, consistent with partial π-delocalization involving its lone pair. The two phenyl rings are markedly inclined to the imidazolone plane, with dihedral angles of 74.98 (9) and 59.67 (8)°. In the crystal, weak C-H⋯O and C-H⋯π inter-actions contribute to the three-dimensional packing arrangement. Hirshfeld surface analysis shows that H⋯H contacts dominate the inter-molecular inter-actions, accounting for 68.5% of the surface, followed by C⋯H/H⋯C (19.1%) and O⋯H/H⋯O (6.1%) contacts. A comparison with related structures in the Cambridge Structural Database indicates that the geometric parameters of the heterocyclic core are consistent with those of closely related derivatives.