Abstract

The structural study of the two 1,3,11,13-tetraoxo-2,12-dithio[5.5](2,6)pyridinophane-2,12-dioxide stereoisomers using X-ray crystallographic analysis, molecular mechanics calculations and dipolemetry is presented. The results suggest a syn conformational preference for both isomers and show that the combination of molecular modelling and dipolemetry constitutes a reliable method for conformational analysis of a flexible large-membered ring.

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