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Crystal structure of the enol form of mesotrione: a benzoyl­cyclo­hexa­nedione herbicide

The title compound [systematic name: 3-hy­droxy-2-(4-methyl­sulfonyl-2-nitro­benzo­yl)cyclo­hex-2-enone], C(14)H(13)NO(7)S, is the enol form of a benzoyl­cyclo­hexa­nedione herbicide. As a result of this tautomerization, there is intra­molecular O—H⋯O hydrogen bond enclosing an S(6) ring motif. The...

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Detalles Bibliográficos
Autores principales: Kang, Gihaeng, Kim, Jineun, Park, Hyunjin, Kim, Tae Ho
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571390/
https://www.ncbi.nlm.nih.gov/pubmed/26396790
http://dx.doi.org/10.1107/S2056989015012803
Descripción
Sumario:The title compound [systematic name: 3-hy­droxy-2-(4-methyl­sulfonyl-2-nitro­benzo­yl)cyclo­hex-2-enone], C(14)H(13)NO(7)S, is the enol form of a benzoyl­cyclo­hexa­nedione herbicide. As a result of this tautomerization, there is intra­molecular O—H⋯O hydrogen bond enclosing an S(6) ring motif. The cyclo­hexene ring has an envelope conformation, with the central CH(2) C atom as the flap. Its mean plane is inclined to the benzene ring by 87.46 (8)°. In the crystal, mol­ecules are linked by a series of C—H⋯O hydrogen bonds, forming a three-dimensional framework.