1H, 13C NMR, X-ray and conformational studies of new 1-alkyl-3-benzoyl-pyrazole and 1-alkyl-3-benzoyl-pyrazoline derivatives.
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.
López-Cara
Luisa C
LC
Departamento de Química Farmacéutica y Orgánica, Facultad de Farmacia, Universidad de Granada, 18071 Granada, Spain.
Carrión
M Dora
MD
Camacho
M Encarnación
ME
Gallo
Miguel A
MA
Espinosa
Antonio
A
Choquesillo-Lazarte
Duane
D
Gonzalez-Pérez
Josefa M
JM
Entrena Guadix
Antonio
A
D002247:Carbon Isotopes; D018360:Crystallography, X-Ray; D009682:Magnetic Resonance Spectroscopy / Q000379:methods* / Q000592:standards*; D008958:Models, Molecular; D008968:Molecular Conformation; D011522:Protons; D011720:Pyrazoles / Q000138:chemical synthesis / Q000737:chemistry*; D012015:Reference Standards; D013237:Stereoisomerism
D002247:Carbon Isotopes; D011522:Protons; D011720:Pyrazoles