Crystal structure and Hirshfeld surface analysis of 4-(4-methyl-benz-yl)-6-phenyl-pyridazin-3(2H)-one.

ABSTRACT: In this paper, we describe the synthesis of a new di-hydro-2H-pyridazin-3-one derivative. The mol-ecule, C₁₈H₁₆N₂O, is not planar; the benzene and pyridazine rings are twisted with respect to each other, making a dihedral angle of 11.47 (2)°, and the toluene ring is nearly perpendicular to the pyridazine ring, with a dihedral angle of 89.624 (1)°. The mol-ecular conformation is stabilized by weak intra-molecular C-H⋯N contacts. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into inversion dimers with an R ₂ ²(8) ring motif. The inter-molecular inter-actions were investigated using Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots, revealing that the most important contributions for t

SUBMITTER: Daoui S 

PROVIDER: S-EPMC6727051 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature