J. Phys. Org. Chem., 470-476, 3 (1990)

DOI: 10.1002/poc.610030709

Structure of 1,2,6-thiadiazine 1,1-dioxides

Ab initio theoretical calculations were carried out on the three tautomers, NH, OH and CH, of 1,2,6-thiadiazine 1,1-dioxides. Different basis sets were employed in order to obtain an adequate description of these cyclic sulphamide derivatives. A coherent picture is obtained which includes relative stability of tautomers (NH > CH > OH), non-planarity of NH and CH tautomers and electronic distribution (Boys' localized orbitals).