Crystal structure and the DFT and MEP study of 4-benzyl-2-[2-(4-fluoro-phen-yl)-2-oxoeth-yl]-6-phenyl-pyridazin-3(2H)-one.

The title pyridazin-3(2H)-one derivative, C25H19FN2O2, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In mol-ecule A, the 4-fluoro-phenyl ring, the benzyl ring and the phenyl ring are inclined to the central pyridazine ring by 86.54 (11), 3.70 (9) and 84.857 (13)°, respectively. In mol-ecule B, the corresponding dihedral angles are 86.80 (9), 10.47 (8) and 82.01 (10)°, respectively. In the crystal, the A mol-ecules are linked by pairs of C-H⋯F hydrogen bonds, forming inversion dimers with an R 2 2(28) ring motif. The dimers are linked by C-H⋯O hydrogen bonds and a C-H⋯π inter-action, forming columns stacking along the a-axis direction. The B mol-ecules are linked to each other in a similar manner and form columns separating the columns of A mol-ecules.