Crystal structure of the enol form of mesotrione: a benzoyl-cyclo-hexa-nedione herbicide.

ABSTRACT: The title compound [systematic name: 3-hy-droxy-2-(4-methyl-sulfonyl-2-nitro-benzo-yl)cyclo-hex-2-enone], C14H13NO7S, is the enol form of a benzoyl-cyclo-hexa-nedione herbicide. As a result of this tautomerization, there is intra-molecular O-H⋯O hydrogen bond enclosing an S(6) ring motif. The cyclo-hexene 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, mol-ecules are linked by a series of C-H⋯O hydrogen bonds, forming a three-dimensional framework.

SUBMITTER: Kang G 

PROVIDER: S-EPMC4571390 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature