Crystal structure, Hirshfeld surface analysis and DFT studies of 4-methyl-2-({[4-(tri­fluoro­meth­yl)phen­yl]imino}­meth­yl)phenol

The title compound, C(15)H(12)F(3)NO, crystallizes with one mol­ecule in the asymmetric unit. The configuration of the C=N bond is E and there is an intra­molecular O—H⋯N hydrogen bond present, forming an S(6) ring motif. The dihedral angle between the mean planes of the phenol and the 4-tri­fluoro­methyl­phenyl rings is 44.77 (3)°. In the crystal, mol­ecules are linked by C—H⋯O inter­actions, forming polymeric chains extending along the a-axis direction. The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from C⋯H/H⋯C (29.2%), H⋯H (28.6%), F⋯H/H⋯F (25.6%), O⋯H/H⋯O (5.7%) and F⋯F (4.6%) inter­actions. The density functional theory (DFT) optimized structure at the B3LYP/6-311 G(d,p) level is compared with the experimentally determined mol­ecular structure in the solid state. The HOMO–LUMO behaviour was elucidated to determine the energy gap. The crystal studied was refined as an inversion twin.