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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 ...

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Detalles Bibliográficos
Autores principales: Jeon, Youngeun, Kim, Jineun, Lee, Sangjin, Kim, Tae Ho
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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
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