A 1H, 13C and 15N NMR study in solution and in the solid state of six N-substituted pyrazoles and indazoles

Magn Reson Chem. 2006 May;44(5):566-70. doi: 10.1002/mrc.1775.

Abstract

Three N-substituted pyrazoles and three N-substituted indazoles [1-(4-nitrophenyl)-3,5-dimethylpyrazole (1), 1-(2,4-dinitrophenyl)-3,5-dimethylpyrazole (2), 1-tosyl-pyrazole (3), 1-p-chlorobenzoylindazole (4), 1-tosylinda-zole (5) and 2-(2-hydroxy-2-phenylethyl)-indazole (6)] have been studied by NMR spectroscopy in solution (1H, 13C, 15N) and in the solid state (13C, 15N). The chemical shifts have been compared with GIAO/DFT calculated absolute shieldings. Some discrepancies have been analyzed.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbon Isotopes / analysis
  • Deuterium / analysis
  • Indazoles / chemistry*
  • Magnetic Resonance Spectroscopy*
  • Nitrogen Isotopes / analysis
  • Pyrazoles / chemistry*
  • Solutions / analysis

Substances

  • Carbon Isotopes
  • Indazoles
  • Nitrogen Isotopes
  • Pyrazoles
  • Solutions
  • Deuterium