X-Ray study of (αS,SS/αR,SR)-1-(p-bromophenyl)ethyl t-butyl sulphoxide and conformational analysis of diastereoisomeric pairs of 1-phenylethyl t-butyl sulphoxides
- 1 January 1976
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Perkin Transactions 2
- No. 13,p. 1490-1495
- https://doi.org/10.1039/p29760001490
Abstract
The title compound, C12H17BrOS, is monoclinic, space group P21/n, a= 12.87(1), b= 6.005(6), c= 17.32(2)Å, β= 90.37°Z= 4, Dm= 1.434 g cm–3. The structure was solved by the heavy-atom method and refined to an R value of 0.09. It has been shown that the bulkiest group (But) orients itself anti to the methyl group and gauche to the phenyl group. Solution phenomena (n.m.r. and o.r.d.–c.d. data) of some diastereoisomeric pairs of 1-phenylethyl t-butyl sulphoxides are best interpreted by assuming that the predominant conformations of these molecules resemble those found in X-ray crystallographic studies.Keywords
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