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Crystal structure of pymetrozine

The title compound, C(10)H(11)N(5)O {systematic name: 6-methyl-4-[(E)-(pyridin-3-yl­methyl­idene)amino]-4,5-di­hydro-1,2,4-triazin-3(2H)-one}, C(10)H(11)N(5)O, is used as an anti­feedant in pest control. The asymmetric unit comprises two independent mol­ecules, A and B, in which the dihedral angles...

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Detalles Bibliográficos
Autores principales: Jeon, Youngeun, 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/PMC4518907/
https://www.ncbi.nlm.nih.gov/pubmed/26279908
http://dx.doi.org/10.1107/S2056989015010804
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author Jeon, Youngeun
Kim, Jineun
Kang, Gihaeng
Kim, Tae Ho
author_facet Jeon, Youngeun
Kim, Jineun
Kang, Gihaeng
Kim, Tae Ho
author_sort Jeon, Youngeun
collection PubMed
description The title compound, C(10)H(11)N(5)O {systematic name: 6-methyl-4-[(E)-(pyridin-3-yl­methyl­idene)amino]-4,5-di­hydro-1,2,4-triazin-3(2H)-one}, C(10)H(11)N(5)O, is used as an anti­feedant in pest control. The asymmetric unit comprises two independent mol­ecules, A and B, in which the dihedral angles between the pyridinyl and triazinyl ring planes [r.m.s. deviations = 0.0132 and 0.0255 ] are 11.60 (6) and 18.06 (4)°, respectively. In the crystal, N—H⋯O, N—H⋯N, C—H⋯N and C—H⋯O hydrogen bonds, together with weak π–π inter­actions [ring-centroid separations = 3.5456 (9) and 3.9142 (9) Å], link the pyridinyl and triazinyl rings of A mol­ecules, generating a three-dimensional network.
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spelling pubmed-45189072015-08-14 Crystal structure of pymetrozine Jeon, Youngeun Kim, Jineun Kang, Gihaeng Kim, Tae Ho Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(10)H(11)N(5)O {systematic name: 6-methyl-4-[(E)-(pyridin-3-yl­methyl­idene)amino]-4,5-di­hydro-1,2,4-triazin-3(2H)-one}, C(10)H(11)N(5)O, is used as an anti­feedant in pest control. The asymmetric unit comprises two independent mol­ecules, A and B, in which the dihedral angles between the pyridinyl and triazinyl ring planes [r.m.s. deviations = 0.0132 and 0.0255 ] are 11.60 (6) and 18.06 (4)°, respectively. In the crystal, N—H⋯O, N—H⋯N, C—H⋯N and C—H⋯O hydrogen bonds, together with weak π–π inter­actions [ring-centroid separations = 3.5456 (9) and 3.9142 (9) Å], link the pyridinyl and triazinyl rings of A mol­ecules, generating a three-dimensional network. International Union of Crystallography 2015-06-10 /pmc/articles/PMC4518907/ /pubmed/26279908 http://dx.doi.org/10.1107/S2056989015010804 Text en © Jeon 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
Jeon, Youngeun
Kim, Jineun
Kang, Gihaeng
Kim, Tae Ho
Crystal structure of pymetrozine
title Crystal structure of pymetrozine
title_full Crystal structure of pymetrozine
title_fullStr Crystal structure of pymetrozine
title_full_unstemmed Crystal structure of pymetrozine
title_short Crystal structure of pymetrozine
title_sort crystal structure of pymetrozine
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518907/
https://www.ncbi.nlm.nih.gov/pubmed/26279908
http://dx.doi.org/10.1107/S2056989015010804
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