1.
IUCrdata
; 7(Pt 3): x220283, 2022 Mar.
Artigo
em Inglês
| MEDLINE
| ID: mdl-36339806
RESUMO
In the title compound, C21H18N2O, the non-aromatic six-membered ring adopts a distorted envelope conformation with one of the methyl-ene-C atoms being the flap atom. The dihedral angle between the phenyl and 4-tolyl rings is 75.3â (1)°. The 1,2-diazole ring forms dihedral angles of 41.9â (1) and 65.5â (1)° with the phenyl and 4-tolyl rings, respectively. In the crystal, stabilizing C-Hâ¯O, C-Hâ¯π and π-π inter-actions are evident. The calculated Hirshfeld surfaces highlight the prominent role of C-Hâ¯O inter-actions (8.6%), along with Hâ¯H (51.7%) and Câ¯H/Hâ¯C (29.2%) surface contacts.