| Autor: |
Lankin, D. C., Grunewald, G. L., Romero, F. A., Oren, I. Y., Snyder, J. P. |
| Zdroj: |
Organic Letters; October 2002, Vol. 4 Issue: 21 p3557-3560, 4p |
| Abstrakt: |
DFT and MMFF force field calculations for 2 (R = H) predict that two conformers dominate in water (≥95%) and both sustain a geometry in which the C−F and H−N dipoles align oppositely in a near-planar arrangement. The 1H NMR spectra (D2O and DMSO-d6) and X-ray structure for 2 (R = SO2NHEt) confirm the predictions in all essentials. A novel single-conformer system is proposed. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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