1H, 13C NMR, X-ray and conformational studies of new 1-alkyl-3-benzoyl-pyrazole and 1-alkyl-3-benzoyl-pyrazoline derivatives

Magn Reson Chem. 2008 Sep;46(9):878-85. doi: 10.1002/mrc.2256.

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbon Isotopes
  • Crystallography, X-Ray
  • Magnetic Resonance Spectroscopy / methods*
  • Magnetic Resonance Spectroscopy / standards*
  • Models, Molecular
  • Molecular Conformation
  • Protons
  • Pyrazoles / chemical synthesis
  • Pyrazoles / chemistry*
  • Reference Standards
  • Stereoisomerism

Substances

  • Carbon Isotopes
  • Protons
  • Pyrazoles