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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...

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Autores principales: Jeon, Youngeun, 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/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.
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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
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