Crystal Structure and Hirshfeld Surface Analysis of 1-Benzyl-3-(Prop-2-Yn-1-Yl)-2,3-Di­Hydro-1H-1,3-Benzo­Diazol-2-One

Abstract

In the title compound, the benzo­diazole unit is planar while the benzyl and propynyl substituents are rotated significantly out of this plane., The title compound, C17H14N2O, is built up from the planar benzo­diazole unit linked to the benzyl and propynyl substituents. The substituents are rotated significantly out of the benzo­diazole plane, where the benzyl group is inclined by 68.91 (7)° to the benzo­diazole unit. In the crystal, the mol­ecules are linked via inter­molecular C—HBnzdzl⋯O and C—HBnzy⋯O (Bnzdzl = benzo­diazole and Bnzy = benz­yl) hydrogen bonds, enclosing R 4 4(27) ring motifs, into a network consisting of rectangular layers parallel to the bc plane which are also stacked along the a-axis direction being associated through C—H⋯π (ring) inter­actions. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (43.6%), H⋯C/C⋯H (42.0%) and H⋯O/O⋯H (8.9%) inter­actions.