1,3,4‐Thiadiazolidine‐2,5‐dione: Crystal Structure, Calculation of Aromaticity and Photodecomposition Quantum Yield

Single crystals of 1,3,4-thiadiazolidine-2,5-dione (1) have been grown and the X-ray crystal structure showed the molecule to be planar with sp(2)-hybridized nitrogen atoms. Density functional theory calculations of nucleus-independent chemical shifts profiles show that 1 is non-aromatic. From actinometry, it was found that continuous photolysis of 1 in methanol at =254nm resulted in a decomposition with the quantum yield phi=0.076(7)mol/Einstein at room temperature.