The chains adopt skewed conformations.

The analysis based on the VIP's gives a reasonable conformation, although the energy-optimizing procedure cannot reproduce the skew conformation.

In 3 a similar arrangement is found about the sulfur atom, with the phenyl group lying in the C—S—C plane and therefore perpendicular to the hydroxyphenyl plane (skew conformation).

The skew conformation of the title compound is contrasted to the skew conformation of 2-hydroxyphenyl phenyl sulfide in which, however, the role of the two aromatic planes is reversed; the 3p orbital now lies in or near the plane of the phenyl group COH due to an attractive interaction.