Cargando…
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...
Autores principales: | , , , |
---|---|
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 |
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. |
---|