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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...

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Autores principales: Kang, Gihaeng, Kim, Jineun, Kwon, Eunjin, Kim, Tae Ho
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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