Synthesis and supramolecular self-assembly of thioxothiazolidinone derivatives driven by H-bonding and diverse π-hole interactions: A combined experimental and theoretical analysis

We report the synthesis and X-ray characterization of two thioxothiazolidinone derivatives that exhibit interesting H-bonding and diverse π-hole interactions involving both the nitro group and the five-membered ring. They have been studied and characterized by means of DFT calculations.258