In the title molecule, 3-ethyl-2-(methylsulfanyl)-5,5-diphenyl-3H-imidazol-4(5H)-one, C18H18N2OS, 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 S-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 via conventional van der Waals contacts. A Hirshfeld surface analysis was performed, showing the predominance of H· · ·H and C· · ·H/H· · ·C contacts.
Synthesis, crystal structure and Hirshfeld surface analysis of 3-ethyl-2-(methylsulfanyl)-5,5-diphenyl-3H-imidazol-4(5H)-one (Thiophenytoin analogue) / El Moutaouakil Ala Allah, A.; Massera, C.; Guerrab, W.; Alsubari, A.; Mague, J. T.; Ramli, Y.. - In: ACTA CRYSTALLOGRAPHICA. SECTION E, CRYSTALLOGRAPHIC COMMUNICATIONS. - ISSN 2056-9890. - 81:9(2025), pp. 801-805. [10.1107/S205698902500698X]
Synthesis, crystal structure and Hirshfeld surface analysis of 3-ethyl-2-(methylsulfanyl)-5,5-diphenyl-3H-imidazol-4(5H)-one (Thiophenytoin analogue)
Massera C.;
2025-01-01
Abstract
In the title molecule, 3-ethyl-2-(methylsulfanyl)-5,5-diphenyl-3H-imidazol-4(5H)-one, C18H18N2OS, 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 S-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 via conventional van der Waals contacts. A Hirshfeld surface analysis was performed, showing the predominance of H· · ·H and C· · ·H/H· · ·C contacts.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
