Spectral assignments and reference data: A 1H, 13C and15N NMR study in solution and in the solid state of six N-substituted pyrazoles and indazoles
Claramunt, Rosa M.; Santa Maria, M. D.; Sanz, D.; Alkorta, Ibon; Elguero, José;
Spectral assignments and reference data: A 1H, 13C and15N NMR study in solution and in the solid state of six N-substituted pyrazoles and indazoles
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-tosylpyrazole (3), 1-p-chlorobenzoylindazole (4), 1-tosylindazole (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. Copyright © 2006 John Wiley & Sons, Ltd.
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