$^1H and ^{13}C$ nuclear magnetic resonance study of 1,3-dipyridylthioureas for chemical shift assignments and conformational analysis.

Sudha, LV and Sathyanarayana, DN and Bharti, Narasimha S (1987) $^1H and ^{13}C$ nuclear magnetic resonance study of 1,3-dipyridylthioureas for chemical shift assignments and conformational analysis. In: Magnetic Resonance in Chemistry, 25 (6). pp. 474-479.

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Abstract

A study of molecular conformation by $^1H and ^{13}C$ NMR methods of three 1,Idipyridyl thioureas namely, 1,3-di(2-pyridyl)thiourea (l), 1,3-di(3-pyridyl)thiourea (2), 1-(2-pyridyl)-3-(3-pyridyl)thiourea (3), and also of 1- phenyl-3-(2-pyridyl)thiourea (4) and 13-diphenylthiourea (5), included for the sake of comparison, was carried out. Evidence was obtained that 3 and 4 exist in solution solely in one form, in an internally hydrogen bonded E,Z conformation, whereas 1, 2 and 5 exist in two (or more) rotamer forms. The data reveal an interesting dynamic exchange phenomenon occurring in 1 between two intramolecularly hydrogen bonded conformers. The $^1H and ^{13}C$ chemical shifts, $^1H$,$^1H and ^{13}C$ coupling constants are reported. The $^{13}C and ^1H $ chemical shifts are correlated with the electron densities calculated by the CNDO method.

Item Type:	Journal Article
Publication:	Magnetic Resonance in Chemistry
Publisher:	John Wiley and Sons Ltd.
Additional Information:	Copyright belongs to John Wiley and Sons Ltd.
Keywords:	1H NMR;13C NMR;1,3-Dipyridylthioureas;Conformation
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	06 Mar 2008
Last Modified:	19 Sep 2010 04:43
URI:	http://eprints.iisc.ac.in/id/eprint/13202

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