Part 31 of “NMR Studies in the Heterocyclic Series;” for Part 30, see B. Mester, R. M. Claramunt and J. Elguero, Magn. Reson. Chem., 25, 737 (1987).
Effect of N-substituents on the 13C NMR parameters of azoles†
Article first published online: 12 APR 2005
Copyright © 1988 John Wiley & Sons, Ltd.
Magnetic Resonance in Chemistry
Volume 26, Issue 2, pages 134–151, February 1988
How to Cite
Begtrup, M., Elguero, J., Faure, R., Camps, P., Estopá, C., Ilavský, D., Fruchier, A., Marzin, C. and de Mendoza, J. (1988), Effect of N-substituents on the 13C NMR parameters of azoles. Magn. Reson. Chem., 26: 134–151. doi: 10.1002/mrc.1260260210
- Issue published online: 12 APR 2005
- Article first published online: 12 APR 2005
- Manuscript Revised: 8 OCT 1987
- Manuscript Accepted: 8 OCT 1987
- Manuscript Received: 10 JUL 1987
- 13C NMR;
- N-substituent effects in azoles;
- 13C NMR models
The 13C chemical shifts and a large collection of coupling constants have been measured for 169 N-substituted azoles with no other substituents on the ring. Simple additive models have been used to discuss both the chemical shifts and the coupling constants. The chemical shift of the substituent depends on the nature of the azole which can, accordingly, be classified into three to six families. Some structural problems (ring-chain isomerism of 1-trifluoromethylsulphonyl-1,2,3-triazole, silylotropy and stannotropy) are also discussed.