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Crystal structure of cyclosulfamuron
The title compound (systematic name: 1-{[2-(cyclopropylcarbonyl)anilino]sulfonyl}-3-(4,6-dimethoxypyrimidin-2-yl)urea), C(17)H(19)N(5)O(6)S, is a pyrimidinylsulfonylurea herbicide. The dihedral angles between the mean planes of the central benzene ring and the cyclopropyl and pyrimidinyl ri...
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/PMC4571433/ https://www.ncbi.nlm.nih.gov/pubmed/26396833 http://dx.doi.org/10.1107/S2056989015014115 |
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author | Kang, Gihaeng Kim, Jineun Kwon, Eunjin Kim, Tae Ho |
author_facet | Kang, Gihaeng Kim, Jineun Kwon, Eunjin Kim, Tae Ho |
author_sort | Kang, Gihaeng |
collection | PubMed |
description | The title compound (systematic name: 1-{[2-(cyclopropylcarbonyl)anilino]sulfonyl}-3-(4,6-dimethoxypyrimidin-2-yl)urea), C(17)H(19)N(5)O(6)S, is a pyrimidinylsulfonylurea herbicide. The dihedral angles between the mean planes of the central benzene ring and the cyclopropyl and pyrimidinyl rings are 75.32 (9) and 88.79 (4)°, respectively. The C atoms of the methoxy groups lie almost in the plane of the pyrimidine ring [deviations = 0.043 (2) and 0.028 (2) Å] and intramolecular N—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds all close S(6) rings. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds and weak π–π interactions [centroid–centroid distances = 3.6175 (9) and 3.7068 (9) Å] link adjacent molecules, forming a three-dimensional network. |
format | Online Article Text |
id | pubmed-4571433 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45714332015-09-22 Crystal structure of cyclosulfamuron Kang, Gihaeng Kim, Jineun Kwon, Eunjin Kim, Tae Ho Acta Crystallogr E Crystallogr Commun Data Reports The title compound (systematic name: 1-{[2-(cyclopropylcarbonyl)anilino]sulfonyl}-3-(4,6-dimethoxypyrimidin-2-yl)urea), C(17)H(19)N(5)O(6)S, is a pyrimidinylsulfonylurea herbicide. The dihedral angles between the mean planes of the central benzene ring and the cyclopropyl and pyrimidinyl rings are 75.32 (9) and 88.79 (4)°, respectively. The C atoms of the methoxy groups lie almost in the plane of the pyrimidine ring [deviations = 0.043 (2) and 0.028 (2) Å] and intramolecular N—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds all close S(6) rings. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds and weak π–π interactions [centroid–centroid distances = 3.6175 (9) and 3.7068 (9) Å] link adjacent molecules, forming a three-dimensional network. International Union of Crystallography 2015-07-31 /pmc/articles/PMC4571433/ /pubmed/26396833 http://dx.doi.org/10.1107/S2056989015014115 Text en © Kang 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 Kang, Gihaeng Kim, Jineun Kwon, Eunjin Kim, Tae Ho Crystal structure of cyclosulfamuron |
title | Crystal structure of cyclosulfamuron |
title_full | Crystal structure of cyclosulfamuron |
title_fullStr | Crystal structure of cyclosulfamuron |
title_full_unstemmed | Crystal structure of cyclosulfamuron |
title_short | Crystal structure of cyclosulfamuron |
title_sort | crystal structure of cyclosulfamuron |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571433/ https://www.ncbi.nlm.nih.gov/pubmed/26396833 http://dx.doi.org/10.1107/S2056989015014115 |
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