1H NMR Spectra and Conformational Analysis of Some 1,4-Dithiepan-6-ones

Article abstract of DOI:10.1002/omr.1270210511

1H NMR Parameters are reported for five 1,4-dithiepan-6-ones. 1,4-Dithiepan-6-one 1-oxide exists in solution as an equilibrium involving two different twist-chair conformations, which contrasts with its conformational behaviour in the solid state.Twist-chair conformers are also adopted by other members of the series, the favoured form varying with ring substitution.The S=O bond in 1,4-dithiepan-6-one 1-oxide and its 5,5-dimethyl analogue exhibit a preference for the pseudoaxial site.