Author/Authors :
Khodov، نويسنده , , I.A. and Nikiforov، نويسنده , , M.Yu. and Alper، نويسنده , , G.A. and Blokhin، نويسنده , , D.S. and Efimov، نويسنده , , S.V. and Klochkov، نويسنده , , V.V. and Georgi، نويسنده , , N.، نويسنده ,
Abstract :
Small organic molecules in dissolved state exist as an ensemble of conformers. In this work conformation of felodipine in dimethyl sulphoxide was studied and dominant stable conformers were determined. Effective interatomic distances were obtained by means of NOE spectroscopy. Fractions of different conformers were estimated by comparing effective distances and those obtained from quantum-chemical calculation [8]; averaging of distances was made following the N-site jump model.
Keywords :
conformational analysis , Nuclear magnetic resonance , NOE , Jump model
