Green Approach for the Synthesis of Xanthenedione Derivatives: Crystal Structure, DFT, and Hirshfeld Surface Analysis

A rapid and green approach for the synthesis of xanthenediones. This approach has many advantages such as environmentally friendly procedure, excellent yields, and short duration. The products were further confirmed by X-ray crystallography. The compounds 3a and 3b crystallize in space group P2(1)/c and Pbca. The structures are stabilized by C-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonds. Further, DFT and Hirshfeld surface analysis was carried out to visualize and explore several short intermolecular interactions on the molecular surface. The 2-D fingerprint plot provided the percentage contribution of each individual interactions with 61.9%, 64.0% overall contacts for the compounds 3a and 3b, respectively.