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1 H, 13 C NMR, X‐ray and conformational studies of new 1‐alkyl‐3‐benzoyl‐pyrazole and 1‐alkyl‐3‐benzoyl‐pyrazoline derivatives
Author(s) -
LópezCara Luisa C.,
Carrión M. Dora,
Camacho M. Encarnación,
Gallo Miguel A.,
Espinosa Antonio,
ChoquesilloLazarte Duane,
GonzalezPérez Josefa M.,
Entrena Guadix Antonio
Publication year - 2008
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.2256
Subject(s) - chemistry , alkyl , pyrazole , dept , pyrazoline , nuclear magnetic resonance spectroscopy , carbon 13 nmr , stereochemistry , proton nmr , medicinal chemistry , organic chemistry
Abstract The 1 H and 13 C NMR resonances of 22 1‐alkyl‐pyrazole and 25 1‐alkyl‐pyrazoline derivatives were assigned completely using the concerted application of one‐ and two‐dimensional experiments (DEPT, gs‐HMQC and gs‐HMBC). Nuclear Overhauser enhancement (NOE) effects, conformational analysis and X‐ray crystallography confirm the preferred conformation of those compounds. Copyright © 2008 John Wiley & Sons, Ltd.