ISSN:
0749-1581
Keywords:
Selective T1
;
Biselective T1
;
Cross-relaxation
;
Correlation time
;
Interproton distance
;
Quinidine
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A relaxation method was applied to quinidine (1) where cross-relaxations (σij) were obtained by 1H selective and biselective T1 measurements and correlation times for molecular reorientation (τc) were evaluated from the frequency dependence of the non-selective T1. The interproton distances (rij) were estimated using these σij and τc values, and the conformation of 1 was determined by comparing the estimated rij values with those calculated from the molecular model. The resulting proposed conformation had the following dihedral angles: ∠ C-11—C-10—C-3-C-4 = 150°, ∠ C-4′—C-9—C-8—C-7 = 50° and ∠ C-9′—C-4′—C-9—C-8 = 70°. The conformation of the side-chain (∠ C-11—C-10—C-3—C-4) is different from the results for the crystal by x-ray analyses.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260301103
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