Abstract
The title compound [systematic name: 3-hydroxy-2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohex-2-enone], C14H13NO7S, 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 CH2 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.
Highlights
The title compound [systematic name: 3-hydroxy-2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohex-2-enone], C14H13NO7S, is the enol form of a benzoylcyclohexanedione herbicide
Its mean plane is inclined to the benzene ring by 87.46 (8)
Its mean plane is inclined to the benzene ring by 87.46 (8) °
Summary
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], C14H13NO7S, 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 CH2 C atom as the flap. Its mean plane is inclined to the benzene ring by 87.46 (8). Molecules are linked by a series of C—H O hydrogen bonds, forming a three-dimensional framework
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