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Crystal structure of penoxsulam
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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588569/ https://www.ncbi.nlm.nih.gov/pubmed/28932463 http://dx.doi.org/10.1107/S2056989017011458 |
Sumario: | 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 π–π interactions, with centroid–centroid separations of 3.4456 (17) and 3.5289 (15) Å and C—F⋯π [3.5335 (17) Å and 107.92 (13)°] contacts link adjacent molecules into chains along [001]. C—H⋯O and C—H⋯F hydrogen bonds link type B molecules into chains parallel to (100). Additional C—H⋯F hydrogen bonds together with short F⋯F contacts further aggregate the structure into a three-dimensional network. |
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