Synthesis, structure and energy calculations of 4-{4-[(2,3-dioxoindol-1-yl)meth-yl]-1H-1,2,3-triazol-1-yl}butyl acetate.

The title compound, C17H18N4O4, consists of almost planar isatin and triazole rings inclined by 78.47 (5)°, as well as a butyl acetate moiety bonded to the N atom of the triazole ring. In the crystal, mol-ecules link into a semicolon shape along the b-axis direction through bifurcated C-H⋯O hydrogen bonds. Aromatic π-π and C-H⋯π(ring) inter-actions also help to consolidate the crystal packing. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (40.6%), H⋯O/O⋯H (26.6%), H⋯N/N⋯H (13.8%) and H⋯C/C⋯H (8.9%) inter-actions. The volume of the crystal voids and the percentage of free space in the unit cell were calculated to be 82.1 Å3 and 10.0%, respectively, showing that there is no large cavity in the crystal packing. Computational methods revealed C-H⋯O hydrogen-bonding energy of -11.6 kJ mol-1. The evaluation of the electrostatic, dispersion and total energy frameworks indicates that the stabilization is dominated via the dispersion energy contributions in the crystal structure.