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Ethyl 2-{3-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-nitroimino-1,3,5-triazinan-1-yl}acetate
In the title compound, C(11)H(15)ClN(6)O(4)S, which belongs to the neonicotinoid class of insecticidally active heterocyclic compounds, the six-membered triazine ring adopts an opened envolope conformation. The planar nitro imine group [dihedral angle between nitro and imine groups = 1.07 (7)°] and...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979404/ https://www.ncbi.nlm.nih.gov/pubmed/21579526 http://dx.doi.org/10.1107/S1600536810018878 |
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author | Sun, Chuan-wen Zhu, Jun Jin, Jia Yang, Ding-rong |
author_facet | Sun, Chuan-wen Zhu, Jun Jin, Jia Yang, Ding-rong |
author_sort | Sun, Chuan-wen |
collection | PubMed |
description | In the title compound, C(11)H(15)ClN(6)O(4)S, which belongs to the neonicotinoid class of insecticidally active heterocyclic compounds, the six-membered triazine ring adopts an opened envolope conformation. The planar nitro imine group [dihedral angle between nitro and imine groups = 1.07 (7)°] and the thiazole ring are oriented at a dihedral angle of 69.62 (8)°. A classical intramolecular N—H⋯O hydrogen bond is found in the molecular structure. Moreover, one classical intermolecular N—H⋯N and four non-classical C—H⋯O and C—H⋯N hydrogen bonds are also present in the crystal structure. Besides intermolecular hydrogen bonds, the Cl atom forms an intermolecular short contact [3.020 (2) Å] with one of the nitro O atoms. |
format | Text |
id | pubmed-2979404 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29794042010-12-30 Ethyl 2-{3-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-nitroimino-1,3,5-triazinan-1-yl}acetate Sun, Chuan-wen Zhu, Jun Jin, Jia Yang, Ding-rong Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(15)ClN(6)O(4)S, which belongs to the neonicotinoid class of insecticidally active heterocyclic compounds, the six-membered triazine ring adopts an opened envolope conformation. The planar nitro imine group [dihedral angle between nitro and imine groups = 1.07 (7)°] and the thiazole ring are oriented at a dihedral angle of 69.62 (8)°. A classical intramolecular N—H⋯O hydrogen bond is found in the molecular structure. Moreover, one classical intermolecular N—H⋯N and four non-classical C—H⋯O and C—H⋯N hydrogen bonds are also present in the crystal structure. Besides intermolecular hydrogen bonds, the Cl atom forms an intermolecular short contact [3.020 (2) Å] with one of the nitro O atoms. International Union of Crystallography 2010-05-26 /pmc/articles/PMC2979404/ /pubmed/21579526 http://dx.doi.org/10.1107/S1600536810018878 Text en © Sun et al. 2010 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 Sun, Chuan-wen Zhu, Jun Jin, Jia Yang, Ding-rong Ethyl 2-{3-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-nitroimino-1,3,5-triazinan-1-yl}acetate |
title | Ethyl 2-{3-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-nitroimino-1,3,5-triazinan-1-yl}acetate |
title_full | Ethyl 2-{3-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-nitroimino-1,3,5-triazinan-1-yl}acetate |
title_fullStr | Ethyl 2-{3-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-nitroimino-1,3,5-triazinan-1-yl}acetate |
title_full_unstemmed | Ethyl 2-{3-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-nitroimino-1,3,5-triazinan-1-yl}acetate |
title_short | Ethyl 2-{3-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-nitroimino-1,3,5-triazinan-1-yl}acetate |
title_sort | ethyl 2-{3-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-nitroimino-1,3,5-triazinan-1-yl}acetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979404/ https://www.ncbi.nlm.nih.gov/pubmed/21579526 http://dx.doi.org/10.1107/S1600536810018878 |
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