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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4719964 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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