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

Acta Crystallographica Section E: Crystallographic Communications

Kang, G.¹  Kim, J.¹  Kim, T.H.¹  Park, H.¹ 

[1] Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University, Jinju 660-701, Republic of Korea

关键词: CRYSTAL STRUCTURE;    TAUTOMERIZATION;    ENOL FORM;    INTRAMOLECULAR O-H...O HYDROGEN BOND.;   

DOI  :  10.1107/S2056989015012803

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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.

【 授权许可】

CC BY