Crystal structure of penoxsulam

Abstract

The title compound, C 16 H 14 F 5 N 5 O 5 S [systematic name: 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy-1,2,4-triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)-benzenesulfonamide], is used as a herbicide. The asymmetric unit of this structure comprises two independent molecules, A and B. The dihedral angles between the ring planes of the triazolopyrimidine ring systems and the benzene rings are 68.84 (7) for A and 68.05 (6) for B. In the crystal, weak intermolecular -interactions, with centroid-centroid separations of 3.4456 (17) and 3.5289 (15) Å and C-FÁ Á Á [3.5335 (17) Å and 107.92 (13) ] contacts link adjacent molecules into chains along [001]. C-HÁ Á ÁO and C-HÁ Á ÁF hydrogen bonds link type B molecules into chains parallel to (100). Additional C-HÁ Á ÁF hydrogen bonds together with short FÁ Á ÁF contacts further aggregate the structure into a three-dimensional network.