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Crystal structure of pyrazoxyfen

The title compound, C(20)H(16)Cl(2)N(2)O(3) (systematic name: 2-{[4-(2,4-di­chloro­benzo­yl)-1,3-di­methyl­pyrazol-5-yl}­oxy}-1-phenyl­ethan-1-one), is the benzoyl­pyrazole herbicide pyrazoxyfen. The asymmetric unit comprises two independent mol­ecules, A and B, in which the pyrazole ring makes dihe...

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Detalles Bibliográficos
Autores principales: Kwon, Eunjin, Kim, Jineun, Kang, Gihaeng, 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/PMC4719964/
https://www.ncbi.nlm.nih.gov/pubmed/26870483
http://dx.doi.org/10.1107/S2056989015023233
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author Kwon, Eunjin
Kim, Jineun
Kang, Gihaeng
Kim, Tae Ho
author_facet Kwon, Eunjin
Kim, Jineun
Kang, Gihaeng
Kim, Tae Ho
author_sort Kwon, Eunjin
collection PubMed
description The title compound, C(20)H(16)Cl(2)N(2)O(3) (systematic name: 2-{[4-(2,4-di­chloro­benzo­yl)-1,3-di­methyl­pyrazol-5-yl}­oxy}-1-phenyl­ethan-1-one), is the benzoyl­pyrazole herbicide pyrazoxyfen. The asymmetric unit comprises two independent mol­ecules, A and B, in which the pyrazole ring makes dihedral angles of 80.29 (10) and 61.70 (10)° and 87.60 (10) and 63.92 (8)°, respectively, with the di­chloro­phenyl and phenyl rings. In the crystal, C—H⋯O and C—H⋯N hydrogen bonds, and C—H⋯π and π–π [3.646 (2) Å] inter­actions link adjacent mol­ecules, forming a two-dimensional network parellel to (011). In addition, the networks are linked by weak inter­molecular C—Cl⋯π [3.356 (2), 3.950 (2), 3.250 (2) and 3.575 (2) Å] inter­actions, resulting in a three-dimensional architecture.
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spelling pubmed-47199642016-02-11 Crystal structure of pyrazoxyfen Kwon, Eunjin Kim, Jineun Kang, Gihaeng Kim, Tae Ho Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(20)H(16)Cl(2)N(2)O(3) (systematic name: 2-{[4-(2,4-di­chloro­benzo­yl)-1,3-di­methyl­pyrazol-5-yl}­oxy}-1-phenyl­ethan-1-one), is the benzoyl­pyrazole herbicide pyrazoxyfen. The asymmetric unit comprises two independent mol­ecules, A and B, in which the pyrazole ring makes dihedral angles of 80.29 (10) and 61.70 (10)° and 87.60 (10) and 63.92 (8)°, respectively, with the di­chloro­phenyl and phenyl rings. In the crystal, C—H⋯O and C—H⋯N hydrogen bonds, and C—H⋯π and π–π [3.646 (2) Å] inter­actions link adjacent mol­ecules, forming a two-dimensional network parellel to (011). In addition, the networks are linked by weak inter­molecular C—Cl⋯π [3.356 (2), 3.950 (2), 3.250 (2) and 3.575 (2) Å] inter­actions, resulting in a three-dimensional architecture. International Union of Crystallography 2015-12-09 /pmc/articles/PMC4719964/ /pubmed/26870483 http://dx.doi.org/10.1107/S2056989015023233 Text en © Kwon 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
Kwon, Eunjin
Kim, Jineun
Kang, Gihaeng
Kim, Tae Ho
Crystal structure of pyrazoxyfen
title Crystal structure of pyrazoxyfen
title_full Crystal structure of pyrazoxyfen
title_fullStr Crystal structure of pyrazoxyfen
title_full_unstemmed Crystal structure of pyrazoxyfen
title_short Crystal structure of pyrazoxyfen
title_sort crystal structure of pyrazoxyfen
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719964/
https://www.ncbi.nlm.nih.gov/pubmed/26870483
http://dx.doi.org/10.1107/S2056989015023233
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