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| Title: | Study of the Structure of 1-Hydroxymethylindazole and 1-Hydroxymethylbenzotriazole by X-ray crystallography, Multinuclear NMR in Solution and DFT Calculations |
| Authors: | Alkorta, Ibon  ; Elguero, José ; Jagerovic, Nadine ; Fruchier, Alain; Yap, G. P. A. |
| Issue Date: | 2004 |
| Publisher: | John Wiley & Sons |
| Citation: | Journal of Heterocyclic Chemistry 41: 285- 289 (2004) |
| Abstract: | 1-Hydroxymethylindazole and 1-hydroxymethylbenzotriazole have been studied in solution by 1H, 13C and 15N NMR spectroscopy and the X-ray structure of the second compound determined. DFT and GIAO calculations have been used to discuss geometries, energies (comparatively with 2-substituted isomers) and NMR chemical shifts. |
| URI: | http://hdl.handle.net/10261/87472 |
| DOI: | http://dx.doi.org/10.1002/jhet.5570410223 |
| ISSN: | 0022-152X |
| E-ISSN: | 1943-5193 |
| Appears in Collections: | (IQM) Artículos |
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| accesoRestringido.pdf | 15,38 kB | Adobe PDF |  View/Open |
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