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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...

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Detalles Bibliográficos
Autores principales: Park, Hyunjin, Kim, Jineun, Chiang, Hojae, Kim, Tae Ho
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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
Descripción
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.