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Kang G, Kim J, Park H, et al. Crystal structure of the enol form of mesotrione: a benzoyl-cyclo-hexa-nedione herbicide. Acta Crystallogr E Crystallogr Commun. 2015;71:o548-9doi: 10.1107/S2056989015012803.
Kang, G., Kim, J., Park, H., & Kim, T. H. (2015). Crystal structure of the enol form of mesotrione: a benzoyl-cyclo-hexa-nedione herbicide. Acta crystallographica. Section E, Crystallographic communications, 71o548-9. https://doi.org/10.1107/S2056989015012803
Kang, Gihaeng, et al. "Crystal structure of the enol form of mesotrione: a benzoyl-cyclo-hexa-nedione herbicide." Acta crystallographica. Section E, Crystallographic communications vol. 71 (2015): o548-9. doi: https://doi.org/10.1107/S2056989015012803
Kang G, Kim J, Park H, Kim TH. Crystal structure of the enol form of mesotrione: a benzoyl-cyclo-hexa-nedione herbicide. Acta Crystallogr E Crystallogr Commun. 2015 Jul 08;71:o548-9. doi: 10.1107/S2056989015012803. eCollection 2015 Aug 01. PMID: 26396790; PMCID: PMC4571390.
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Acta Crystallogr E Crystallogr Commun. 2015 Jul 08;71:o548-9. doi: 10.1107/S2056989015012803. eCollection 2015 Aug 01.

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

Acta crystallographica. Section E, Crystallographic communications

Gihaeng Kang, Jineun Kim, Hyunjin Park, Tae Ho Kim

Affiliations

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

PMID: 26396790 PMCID: PMC4571390 DOI: 10.1107/S2056989015012803

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.

Keywords: crystal structure; enol form; intra­molecular O—H⋯O hydrogen bond.; tautomerization

References

  1. Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22 - PubMed
  2. Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2829 - PubMed
  3. Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2850 - PubMed
  4. Acta Crystallogr C Struct Chem. 2015 Jan;71(Pt 1):3-8 - PubMed

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