(E)-5-(4-Methyl-benzyl-idene)-1-phenyl-4,5,6,7-tetra-hydro-1 H-indazol-4-one

C Selva Meenatchi; S Athimoolam; J Suresh; R Vishnu Priya; S Raja Rubina; S R Bhandari

doi:10.1107/S2414314622002838

(E)-5-(4-Methyl-benzyl-idene)-1-phenyl-4,5,6,7-tetra-hydro-1 H-indazol-4-one

IUCrdata. 2022 Mar 29;7(Pt 3):x220283. doi: 10.1107/S2414314622002838. eCollection 2022 Mar.

Authors

C Selva Meenatchi¹, S Athimoolam², J Suresh¹, R Vishnu Priya¹, S Raja Rubina³, S R Bhandari⁴

Affiliations

¹ Department of Physics, The Madura College, Madurai 625 011, India.
² Department of Physics, University College of Engineering Nagercoil, Anna University, Nagercoil 629 004, Tamilnadu, India.
³ Department of Organic Chemistry, School of Chemistry, Madurai Kamaraj University, Madurai 625 021, India.
⁴ Department of Physics, Bhairahawa M. Campus, Tribhuvan University, Nepal.

Abstract

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 75.3 (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 inter-actions are evident. The calculated Hirshfeld surfaces highlight the prominent role of C-H⋯O inter-actions (8.6%), along with H⋯H (51.7%) and C⋯H/H⋯C (29.2%) surface contacts.

Keywords: Hirshfeld surface; crystal structure; indazol-4-one.