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The herbicide triflusulfuron-meth­yl

The mol­ecule of the title compound [systematic name: methyl 2-({[4-dimethyl­amino-6-(2,2,2-trifluoro­eth­oxy)-1,3,5-triazin-2-yl]carbamo­yl}sulfamo­yl)-3-methyl­benzoate], C(17)H(19)F(3)N(6)O(6)S, features a nearly planar (r.m.s. deviation = 0.098 Å) dimethyl­amino­triazinyl-urea group with a short...

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Detalles Bibliográficos
Autor principal: Mereiter, Kurt
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151983/
https://www.ncbi.nlm.nih.gov/pubmed/21837154
http://dx.doi.org/10.1107/S1600536811023166
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author Mereiter, Kurt
author_facet Mereiter, Kurt
author_sort Mereiter, Kurt
collection PubMed
description The mol­ecule of the title compound [systematic name: methyl 2-({[4-dimethyl­amino-6-(2,2,2-trifluoro­eth­oxy)-1,3,5-triazin-2-yl]carbamo­yl}sulfamo­yl)-3-methyl­benzoate], C(17)H(19)F(3)N(6)O(6)S, features a nearly planar (r.m.s. deviation = 0.098 Å) dimethyl­amino­triazinyl-urea group with a short intra­molecular N—H⋯N hydrogen bond to a triazine N atom. An intra­molecular dipole–dipole inter­action between the sulfamide and carboxyl­ate groups, with O(s)⋯C(c) = 2.800 (1) Å and N(s)⋯O(c) = 2.835 (1) Å, controls the orientation of the methyl­benzoate group and the shape of the mol­ecule. The crystal structure is stabilized by inter­molecular N—H⋯N hydrogen bonding, C—H⋯X (X = N,O) inter­actions and arene π–π stacking.
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spelling pubmed-31519832011-08-11 The herbicide triflusulfuron-meth­yl Mereiter, Kurt Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecule of the title compound [systematic name: methyl 2-({[4-dimethyl­amino-6-(2,2,2-trifluoro­eth­oxy)-1,3,5-triazin-2-yl]carbamo­yl}sulfamo­yl)-3-methyl­benzoate], C(17)H(19)F(3)N(6)O(6)S, features a nearly planar (r.m.s. deviation = 0.098 Å) dimethyl­amino­triazinyl-urea group with a short intra­molecular N—H⋯N hydrogen bond to a triazine N atom. An intra­molecular dipole–dipole inter­action between the sulfamide and carboxyl­ate groups, with O(s)⋯C(c) = 2.800 (1) Å and N(s)⋯O(c) = 2.835 (1) Å, controls the orientation of the methyl­benzoate group and the shape of the mol­ecule. The crystal structure is stabilized by inter­molecular N—H⋯N hydrogen bonding, C—H⋯X (X = N,O) inter­actions and arene π–π stacking. International Union of Crystallography 2011-06-22 /pmc/articles/PMC3151983/ /pubmed/21837154 http://dx.doi.org/10.1107/S1600536811023166 Text en © Kurt Mereiter 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Mereiter, Kurt
The herbicide triflusulfuron-meth­yl
title The herbicide triflusulfuron-meth­yl
title_full The herbicide triflusulfuron-meth­yl
title_fullStr The herbicide triflusulfuron-meth­yl
title_full_unstemmed The herbicide triflusulfuron-meth­yl
title_short The herbicide triflusulfuron-meth­yl
title_sort herbicide triflusulfuron-meth­yl
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151983/
https://www.ncbi.nlm.nih.gov/pubmed/21837154
http://dx.doi.org/10.1107/S1600536811023166
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