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| Título: | The structure of the agrochemical fungicidal 4-chloro-3-(3,5-dichlorophenyl)-1H-pyrazole (RPA 406194) and related compounds |
Autor: | Vors, Jean-Pierre; Gerbaud, Vincent; Gabàs, Nadine; Canselier, Jean Paul; Jagerovic, Nadine CSIC ORCID ; Jimeno, M. Luisa CSIC ORCID; Elguero, José CSIC ORCID | Fecha de publicación: | 2003 | Editor: | Pergamon Press | Citación: | Tetrahedron 59: 555- 560 (2003) | Resumen: | The difficulties to obtain convenient monocrystals of the important fungicide RPA 406194 have been overcome by a combination of solid state 13C NMR, X-ray powder diffraction and molecular modeling. The compound, a 3-aryl tautomer, crystallizes forming infinite chains of molecules bonded by N-H⋯N hydrogen bonds, leading to needle-shaped crystals. The tautomerism (equilibrium constant and energy barrier) of this compound in solution has been studied. © 2003 Elsevier Science Ltd. All rights reserved. | URI: | http://hdl.handle.net/10261/87705 | DOI: | 10.1016/S0040-4020(02)01487-4 | Identificadores: | doi: 10.1016/S0040-4020(02)01487-4 issn: 0040-4020 |
| Aparece en las colecciones: | (CENQUIOR) Artículos |
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