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Crystal structure of triclopyr
In the title compound {systematic name: 2-[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid}, the herbicide triclopyr, C(7)H(4)Cl(3)NO(3), the asymmetric unit comprises two independent molecules in which the dihedral angles between the mean plane of the carboxylic acid group and the pyridyl ring p...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186132/ https://www.ncbi.nlm.nih.gov/pubmed/25309266 http://dx.doi.org/10.1107/S160053681401681X |
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author | Cho, Seonghwa Kim, Jineun Jeon, Youngeun Kim, Tae Ho |
author_facet | Cho, Seonghwa Kim, Jineun Jeon, Youngeun Kim, Tae Ho |
author_sort | Cho, Seonghwa |
collection | PubMed |
description | In the title compound {systematic name: 2-[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid}, the herbicide triclopyr, C(7)H(4)Cl(3)NO(3), the asymmetric unit comprises two independent molecules in which the dihedral angles between the mean plane of the carboxylic acid group and the pyridyl ring plane are 79.3 (6) and 83.8 (5)°. In the crystal, pairs of intermolecular O—H⋯O hydrogen bonds form dimers through an R (2) (2)(8) ring motif and are extended into chains along [100] by weak π–π interactions [ring centroid separations = 3.799 (4) and 3.810 (4) Å]. In addition, short intermolecular Cl⋯Cl contacts [3.458 (2) Å] connect the chains, yielding a two-dimensional architecture extending parallel to (020). The crystal studied was found to be non-merohedrally twinned with the minor component being 0.175 (4). |
format | Online Article Text |
id | pubmed-4186132 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41861322014-10-12 Crystal structure of triclopyr Cho, Seonghwa Kim, Jineun Jeon, Youngeun Kim, Tae Ho Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound {systematic name: 2-[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid}, the herbicide triclopyr, C(7)H(4)Cl(3)NO(3), the asymmetric unit comprises two independent molecules in which the dihedral angles between the mean plane of the carboxylic acid group and the pyridyl ring plane are 79.3 (6) and 83.8 (5)°. In the crystal, pairs of intermolecular O—H⋯O hydrogen bonds form dimers through an R (2) (2)(8) ring motif and are extended into chains along [100] by weak π–π interactions [ring centroid separations = 3.799 (4) and 3.810 (4) Å]. In addition, short intermolecular Cl⋯Cl contacts [3.458 (2) Å] connect the chains, yielding a two-dimensional architecture extending parallel to (020). The crystal studied was found to be non-merohedrally twinned with the minor component being 0.175 (4). International Union of Crystallography 2014-08-01 /pmc/articles/PMC4186132/ /pubmed/25309266 http://dx.doi.org/10.1107/S160053681401681X Text en © Cho et al. 2014 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 Cho, Seonghwa Kim, Jineun Jeon, Youngeun Kim, Tae Ho Crystal structure of triclopyr |
title | Crystal structure of triclopyr |
title_full | Crystal structure of triclopyr |
title_fullStr | Crystal structure of triclopyr |
title_full_unstemmed | Crystal structure of triclopyr |
title_short | Crystal structure of triclopyr |
title_sort | crystal structure of triclopyr |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186132/ https://www.ncbi.nlm.nih.gov/pubmed/25309266 http://dx.doi.org/10.1107/S160053681401681X |
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