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Published April 1998 | public
Journal Article

Conformational analysis of a 12-membered crown dithioether in the solid state and in solution

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.

Additional Information

Copyright © 1998 John Wiley & Sons. Issue published online: 4 DEC 1998. Article first published online: 4 DEC 1998. Manuscript Accepted: 29 SEP 1997. Manuscript Revised: 20 AUG 1997. Manuscript Received: 22 MAY 1997. NTAS. Grant Number: 94-1914 Russian Foundation for Basic Research. Grant Number: 94-03-09296

Additional details

Created:
August 22, 2023
Modified:
October 24, 2023