Crystal structure, Hirshfeld surface analysis, inter­action energy and energy framework calculations, as well as density functional theory (DFT) com­putation, of methyl 2-oxo-1-(prop-2-yn­yl)-1,2-di­hydro­quinoline-4-carboxyl­ate

In the title mol­ecule, C(14)H(11)NO(3), the di­hydro­quinoline core deviates slightly from planarity, indicated by the dihedral angle of 1.07 (3)° between the two six-membered rings. In the crystal, layers of mol­ecules almost parallel to the bc plane are formed by C—H⋯O hydro­gen bonds. These are joined by π–π stacking inter­actions. A Hirshfeld surface analysis revealed that the most important contributions to the crystal packing are from H⋯H (36.0%), H⋯C/C⋯H (28.9%) and H⋯O/O⋯H (23.5%) inter­actions. The evaluation of the electrostatic, dispersion and total energy frameworks indicates that the stabilization is dominated by the dispersion energy contribution. Moreover, the mol­ecular structure optimized by density functional theory (DFT) at the B3LYP/6-311G(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.