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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 CSIC ORCID ; Elguero, José CSIC ORCID; Jagerovic, Nadine CSIC ORCID ; 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: | 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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