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], C17H19F3N6O6S, features a nearly planar (r.m.s. deviation = 0.098 Å) dimethylaminotriazinyl-urea group with...

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Bibliographic Details
Main Author: Kurt Mereiter
Format: Article
Language:English
Published: International Union of Crystallography 2011-07-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811023166
Description
Summary: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], C17H19F3N6O6S, 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 Os...Cc = 2.800 (1) Å and Ns...Oc = 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.
ISSN:1600-5368