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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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|
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