Proton magnetic resonance study of the molecular conformation of N-(3-pyridinyl)3-pyridinecarboxamide, N-(3-pyridinyl)acetamide and 3-pyridinecarboxamide

Singha, Nethai C and Anand, Jayashree and Sathyanarayana, DN (1998) Proton magnetic resonance study of the molecular conformation of N-(3-pyridinyl)3-pyridinecarboxamide, N-(3-pyridinyl)acetamide and 3-pyridinecarboxamide. In: Journal of Molecular Structure, 443 (1-3). 01-08.

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Abstract

The H-1 NMR spectra of N-(3-pyridinyl) 3-pyridinecarboxamide, N-(3-pyridinyl)acetamide and 3-pyridinecarboxamide in different solvents have been assigned utilizing the COSY spectra, chemical shift and coupling constant correlations. The H-1 NMR spectra, NOE experiments and MINDO/3 calculations have been utilized for obtaining information on the molecular conformation. The results suggest that in dilute solutions, the 3-pyridyl rings are nor coplanar with the amide group, which is in trans orientation in all the three compounds.

Item Type:	Journal Article
Additional Information:	Copyright of this article belongs to Elsevier Science.
Keywords:	NMR spectra;Molecular conformation;Pyridinecarboxamide.
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	21 Dec 2009 11:06
Last Modified:	19 Sep 2010 05:26
URI:	http://eprints.iisc.ernet.in/id/eprint/19105

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