The structure of the agrochemical fungicidal 4-Chloro-3-(3,5-dichloropheny)-1H-pyrazole, RPA 406194 and related compounds - Archive ouverte HAL Access content directly
Journal Articles Tetrahedron Year : 2003

The structure of the agrochemical fungicidal 4-Chloro-3-(3,5-dichloropheny)-1H-pyrazole, RPA 406194 and related compounds

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.
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hal-03603100 , version 1 (09-03-2022)

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Jean Pierre Vors, Vincent Gerbaud, Nadine Gabas, Jean-Paul Canselier, Nadine Jagerovic, et al.. The structure of the agrochemical fungicidal 4-Chloro-3-(3,5-dichloropheny)-1H-pyrazole, RPA 406194 and related compounds. Tetrahedron, 2003, 5 (4), pp.555-560. ⟨10.1016/S0040-4020(02)01487-4⟩. ⟨hal-03603100⟩
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