(E)-5-(4-Methyl­benzyl­idene)-1-phenyl-4,5,6,7-tetra­hydro-1H-indazol-4-one

ABSTRACT: The 1,2-diazole ring in the title compound is fused to a non-aromatic six-membered ring and bears an N-bound phenyl ring. In the crystal, weak C—H⋯O, C—H⋯π and π–π inter­actions contribute to the three-dimensional architecture. In the title compound, C21H18N2O, the non-aromatic six-membered ring adopts a distorted envelope conformation with one of the methyl­ene-C atoms being the flap atom. The dihedral angle between the phenyl and 4-tolyl rings is 75.3 (1)°. The 1,2-diazole ring forms dihedral angles of 41.9 (1) and 65.5 (1)° with the phenyl and 4-tolyl rings, respectively. In the crystal, stabilizing C—H⋯O, C—H⋯π and π–π inter­actions are evident. The calculated Hirshfeld surfaces highlight the prominent role of C—H⋯O inter­actions (8.6%), along with H⋯H (51.7%) and C⋯H/H⋯C (29.2%) surface contacts.

SUBMITTER: Meenatchi C 

PROVIDER: S-EPMC9462011 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature