Synthesis, X-ray crystal structure, Hirshfeld surface analysis and DFT studies of (E)-N′-(2-bromo­benzyl­idene)-4-methylbenzohydrazide

The title mol­ecule, C(15)H(13)BrN(2)O, displays a trans configuration with respect to the C=N double bond. The dihedral angle between the bromo- and methyl-substituted benzene rings is 16.1 (3)°. In the crystal, mol­ecules are connected by N—H⋯O and weak C—H⋯O hydrogen bonds, forming R (2) (1)(6) ring motifs and generating chains along the a–axis direction. The optimized structure generated theoretically via density functional theory (DFT) using standard B3LYP functional and 6–311 G(d,p) basis-set calculations renders good support to the experimental data. The HOMO–LUMO behaviour was elucidated to determine the energy gap. The inter­molecular inter­actions were qu­anti­fied and analysed using Hirshfeld surface analysis.