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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...

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Autores principales: Cho, Seonghwa, Kim, Jineun, Jeon, Youngeun, Kim, Tae Ho
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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).
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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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