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Fluazinam
In the asymmetric unit of the title compound {systematic name: 3-chloro-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,6-dinitro-4-(trifluoromethyl)aniline}, C(13)H(4)Cl(2)F(6)N(4)O(4), which is the fungicide fluazinam, the dihedral angle between the pyridine and benzene ring planes is 42.20 ...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884378/ https://www.ncbi.nlm.nih.gov/pubmed/24427089 http://dx.doi.org/10.1107/S1600536813023210 |
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author | Jeon, Youngeun Kim, Jineun Lee, Sangjin Kim, Tae Ho |
author_facet | Jeon, Youngeun Kim, Jineun Lee, Sangjin Kim, Tae Ho |
author_sort | Jeon, Youngeun |
collection | PubMed |
description | In the asymmetric unit of the title compound {systematic name: 3-chloro-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,6-dinitro-4-(trifluoromethyl)aniline}, C(13)H(4)Cl(2)F(6)N(4)O(4), which is the fungicide fluazinam, the dihedral angle between the pyridine and benzene ring planes is 42.20 (4)°. In the crystal, pairs of N—H⋯F hydrogen bonds link the molecules into inversion dimers which are linked by C—Cl⋯π [Cl⋯ring centroid = 3.3618 (4) A °] and N—O⋯π [O⋯ring centroid = 3.1885 (16) Å] interactions into chains along [100]. In addition, short Cl⋯Cl, O⋯Cl, and F⋯F contacts [3.4676 (7), 3.2371 (13) and 2.7910 (15) Å] are present which connect the chains, yielding a three-dimensional network. |
format | Online Article Text |
id | pubmed-3884378 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38843782014-01-14 Fluazinam Jeon, Youngeun Kim, Jineun Lee, Sangjin Kim, Tae Ho Acta Crystallogr Sect E Struct Rep Online Organic Papers In the asymmetric unit of the title compound {systematic name: 3-chloro-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,6-dinitro-4-(trifluoromethyl)aniline}, C(13)H(4)Cl(2)F(6)N(4)O(4), which is the fungicide fluazinam, the dihedral angle between the pyridine and benzene ring planes is 42.20 (4)°. In the crystal, pairs of N—H⋯F hydrogen bonds link the molecules into inversion dimers which are linked by C—Cl⋯π [Cl⋯ring centroid = 3.3618 (4) A °] and N—O⋯π [O⋯ring centroid = 3.1885 (16) Å] interactions into chains along [100]. In addition, short Cl⋯Cl, O⋯Cl, and F⋯F contacts [3.4676 (7), 3.2371 (13) and 2.7910 (15) Å] are present which connect the chains, yielding a three-dimensional network. International Union of Crystallography 2013-08-23 /pmc/articles/PMC3884378/ /pubmed/24427089 http://dx.doi.org/10.1107/S1600536813023210 Text en © Jeon et al. 2013 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 | Organic Papers Jeon, Youngeun Kim, Jineun Lee, Sangjin Kim, Tae Ho Fluazinam |
title | Fluazinam |
title_full | Fluazinam |
title_fullStr | Fluazinam |
title_full_unstemmed | Fluazinam |
title_short | Fluazinam |
title_sort | fluazinam |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884378/ https://www.ncbi.nlm.nih.gov/pubmed/24427089 http://dx.doi.org/10.1107/S1600536813023210 |
work_keys_str_mv | AT jeonyoungeun fluazinam AT kimjineun fluazinam AT leesangjin fluazinam AT kimtaeho fluazinam |