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Crystal and molecular structure of 2-isopropylidene-5-methyl-1,3-dithiolane-1-oxide, C7H12OS2

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Abstract

The acid catalyzed cyclization of 2-propyl(allylthio)sulfine to methyl substituted 2-isopropylidene-1,3-dithiolane-1-oxide occursvia enethiolization of the sulfine followed by an intramolecular addition of thus formed sulfenic acid to the olefinic bond. Crystal data: C7H12OS2,M r=176.3, orthorhombic, space group Pbca,a=9.5551(13),b=17.3407(18),c=10.6417(9)Å,V=1763.2(3)Å3,Z=8. The structure was solved by a combination of Patterson and direct methodswR 2=0.115 for 1554 observations and 106 parameters. The stereochemical relationship between the methyl and sulfoxide oxygen iscis.

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Smits, J.M.M., Beurskens, P.T., van Vliet, L.A. et al. Crystal and molecular structure of 2-isopropylidene-5-methyl-1,3-dithiolane-1-oxide, C7H12OS2 . J Chem Crystallogr 24, 793–795 (1994). https://doi.org/10.1007/BF01668242

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