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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3151983 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT mereiterkurt theherbicidetriflusulfuronmethyl AT mereiterkurt herbicidetriflusulfuronmethyl |