Vors, Jean Pierre and Gerbaud, Vincent and Gabas, Nadine
and Canselier, Jean-Paul
and Jagerovic, Nadine and Jimeno, Maria Luisa and Elguero, José
The structure of the agrochemical fungicidal 4-Chloro-3-(3,5-dichloropheny)-1H-pyrazole, RPA 406194 and related compounds.
(2003)
Tetrahedron, 5 (4). 555-560. ISSN 0040-4020
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(Document in English)
PDF (Author's version) - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader 352kB |
Official URL: http://dx.doi.org/10.1016/S0040-4020(02)01487-4
Abstract
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.
Item Type: | Article |
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Additional Information: | http://www.sciencedirect.com/science/journal/00404020 |
HAL Id: | hal-03603100 |
Audience (journal): | International peer-reviewed journal |
Uncontrolled Keywords: | |
Institution: | Other partners > Consejo Superior de Investigaciones Científicas - CSIC (SPAIN) Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE) Other partners > Bayer CropScience (FRANCE) Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE) French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE) |
Laboratory name: | Laboratoire de Génie Chimique - LGC (Toulouse, France) - Procédés Systèmes Industriels (PSI) - Analyse fonctionnelle des procédés Laboratoire de Génie Chimique - LGC (Toulouse, France) - Génie des Interfaces & Milieux Divisés (GIMD) Centre de Recherche de La Dargoire (Lyon, France) Instituto de Quimica Medica - IQM (Madrid, Spain) |
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Deposited On: | 20 Mar 2008 17:02 |
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