Abstract
The solid-state molecular structure and the conformational behaviour in solution of the 12-membered crown dithioether 8- methyl-1,4-dioxa-7,10-dithiacyclododecane-5,12-dione were studied by x-ray crystallography, H-1 and C-13 NMR spectroscopy and molecular mechanics. The conformational rigidity of some constituent structural fragments allowed a detailed analysis of the structure and distribution of the conformers. A protocol for studies of multiconformational equilibrium was developed by means of the combined use of structure calculations and dynamic NMR measurements. (C) 1998 John Wiley & Sons, Ltd.
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