CRYSTAL AND MOLECULAR-STRUCTURE OF 2-ISOPROPYLIDENE-5-METHYL-1,3-DITHIOLANE-1-OXIDE, C7H12OS2

The acid catalyzed cyclization of 2-propyl(allylthio)sulfine to methyl substituted 2-isopropylidene-1,3-dithiolane-1-oxide occurs via enethi olization of the sulfine followed by an intramolecular addition of thu s formed sulfenic acid to the olefinic bond. Crystal data: C7H12OS2. M (r) = 176.3, orthorhombic, space group Pbca, a = 9.5551(13), b = 17.34 07(18), c = 10.6417(9)Angstrom, V = 1763.2(3)Angstrom(3), Z = 8. The s tructure was solved by a combination of Patterson and direct methods w R(2) = 0.115 for 1554 observations and 106 parameters. The stereochemi cal relationship between the methyl and sulfoxide oxygen is cis.