Abstract
Two different molecules with point group symmetry 2 are present in the crystal structure of the title compound. Each independent molecule forms chains parallel to the
b
axis with its symmetry-related counterparts through C—H⋯π(ring) interactions.
The asymmetric unit of the title compound, C
23
H
28
O
4
, comprises two half-molecules, with the other half of each molecule being completed by the application of twofold rotation symmetry. The two completed molecules both have a V-shaped appearance but differ in their conformations. In the crystal, each independent molecule forms chains extending parallel to the
b
axis with its symmetry-related counterparts through C—H⋯π(ring) interactions. Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (65.4%), H⋯C/C⋯H (21.8%) and H⋯O/O⋯H (12.3%) interactions. Optimized structures using density functional theory (DFT) at the B3LYP/6–311 G(d,p) level are compared with the experimentally determined molecular structures in the solid state. The HOMO–LUMO behaviour was elucidated to determine the energy gap.