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Crystal structure of azimsulfuron
The title compound {systematic name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyl-2H-tetrazol-5-yl)pyrazol-5-ylsulfonyl]urea}, C(13)H(16)N(10)O(5)S, is a sulfonylurea herbicide. In this compound, the dihedral angles between the planes of the central pyrazole and the terminal dimeth...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518981/ https://www.ncbi.nlm.nih.gov/pubmed/26279913 http://dx.doi.org/10.1107/S2056989015010968 |
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author | Jeon, Youngeun Kim, Jineun Kwon, Eunjin Kim, Tae Ho |
author_facet | Jeon, Youngeun Kim, Jineun Kwon, Eunjin Kim, Tae Ho |
author_sort | Jeon, Youngeun |
collection | PubMed |
description | The title compound {systematic name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyl-2H-tetrazol-5-yl)pyrazol-5-ylsulfonyl]urea}, C(13)H(16)N(10)O(5)S, is a sulfonylurea herbicide. In this compound, the dihedral angles between the planes of the central pyrazole and the terminal dimethoxypyrimidine and tetrazole rings are 79.10 (8) and 17.21 (16)°, respectively. In the crystal, N—H⋯O hydrogen bonds link adjacent molecules, forming R (2) (2)(8) inversion dimers. In addition, weak C—H⋯O and C—H⋯N hydrogen bonds and weak π–π interactions [ring centroid separation = 3.8255 (12) Å] are present, resulting in a three-dimensional architecture. |
format | Online Article Text |
id | pubmed-4518981 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45189812015-08-14 Crystal structure of azimsulfuron Jeon, Youngeun Kim, Jineun Kwon, Eunjin Kim, Tae Ho Acta Crystallogr E Crystallogr Commun Data Reports The title compound {systematic name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyl-2H-tetrazol-5-yl)pyrazol-5-ylsulfonyl]urea}, C(13)H(16)N(10)O(5)S, is a sulfonylurea herbicide. In this compound, the dihedral angles between the planes of the central pyrazole and the terminal dimethoxypyrimidine and tetrazole rings are 79.10 (8) and 17.21 (16)°, respectively. In the crystal, N—H⋯O hydrogen bonds link adjacent molecules, forming R (2) (2)(8) inversion dimers. In addition, weak C—H⋯O and C—H⋯N hydrogen bonds and weak π–π interactions [ring centroid separation = 3.8255 (12) Å] are present, resulting in a three-dimensional architecture. International Union of Crystallography 2015-06-13 /pmc/articles/PMC4518981/ /pubmed/26279913 http://dx.doi.org/10.1107/S2056989015010968 Text en © Jeon et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Jeon, Youngeun Kim, Jineun Kwon, Eunjin Kim, Tae Ho Crystal structure of azimsulfuron |
title | Crystal structure of azimsulfuron |
title_full | Crystal structure of azimsulfuron |
title_fullStr | Crystal structure of azimsulfuron |
title_full_unstemmed | Crystal structure of azimsulfuron |
title_short | Crystal structure of azimsulfuron |
title_sort | crystal structure of azimsulfuron |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518981/ https://www.ncbi.nlm.nih.gov/pubmed/26279913 http://dx.doi.org/10.1107/S2056989015010968 |
work_keys_str_mv | AT jeonyoungeun crystalstructureofazimsulfuron AT kimjineun crystalstructureofazimsulfuron AT kwoneunjin crystalstructureofazimsulfuron AT kimtaeho crystalstructureofazimsulfuron |