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Tautomeric and conformational preferences in nitraminopyridines: Comparison of theoretical and experimental data

✍ Scribed by Ryszard Gawinecki; Ewa D. Raczyńska; Danuta Rasałla; Stanisłlaw Styrcz

Publisher
Elsevier Science
Year
1997
Tongue
French
Weight
438 KB
Volume
53
Category
Article
ISSN
0040-4020

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✦ Synopsis

AMI calculations show 2-nitraminopyridine to contain 97.7 % of 1,2-dihydro-2-nitriminopyridine form which was found to be the most stable in the gas phase. Except the proton transfer processes, dimerizafion was also found to appear in this compound. Instead, non-planar nilyamine form was found to dominate for 4-nitraminopyridine. The results are related to experimental (X-ray and ~SN NMR) data.

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