Cargando…
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: | , , , |
---|---|
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 |
_version_ | 1783262198757326848 |
---|---|
author | Park, Hyunjin Kim, Jineun Chiang, Hojae Kim, Tae Ho |
author_facet | Park, Hyunjin Kim, Jineun Chiang, Hojae Kim, Tae Ho |
author_sort | Park, Hyunjin |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-5588569 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-55885692017-09-20 Crystal structure of penoxsulam Park, Hyunjin Kim, Jineun Chiang, Hojae Kim, Tae Ho Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2017-08-08 /pmc/articles/PMC5588569/ /pubmed/28932463 http://dx.doi.org/10.1107/S2056989017011458 Text en © Park et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Park, Hyunjin Kim, Jineun Chiang, Hojae Kim, Tae Ho Crystal structure of penoxsulam |
title | Crystal structure of penoxsulam |
title_full | Crystal structure of penoxsulam |
title_fullStr | Crystal structure of penoxsulam |
title_full_unstemmed | Crystal structure of penoxsulam |
title_short | Crystal structure of penoxsulam |
title_sort | crystal structure of penoxsulam |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588569/ https://www.ncbi.nlm.nih.gov/pubmed/28932463 http://dx.doi.org/10.1107/S2056989017011458 |
work_keys_str_mv | AT parkhyunjin crystalstructureofpenoxsulam AT kimjineun crystalstructureofpenoxsulam AT chianghojae crystalstructureofpenoxsulam AT kimtaeho crystalstructureofpenoxsulam |