1-(6-Bromo-3,4-dihydro-2H-1,4-benz­oxazin-4-yl)-2,2-dichloro­ethanone

The title compound, C(10)H(8)BrCl(2)NO(2), is a target mol­ecule in our research on herbicide safeners. The oxazine ring has an envelope conformation, with puckering parameters close to ideal values [Q = 0.498 (3) Å, θ = 53.7 (3)° and ϕ = 253.4 (4)°]. The crystal structure is stabilized by C—H⋯O, C—...

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Detalles Bibliográficos
Autores principales: Ye, Fei, Li, Ying, Fu, Ying, Zhao, Li-Xia, Gao, Shuang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414960/
https://www.ncbi.nlm.nih.gov/pubmed/22904947
http://dx.doi.org/10.1107/S1600536812032011
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author Ye, Fei
Li, Ying
Fu, Ying
Zhao, Li-Xia
Gao, Shuang
author_facet Ye, Fei
Li, Ying
Fu, Ying
Zhao, Li-Xia
Gao, Shuang
author_sort Ye, Fei
collection PubMed
description The title compound, C(10)H(8)BrCl(2)NO(2), is a target mol­ecule in our research on herbicide safeners. The oxazine ring has an envelope conformation, with puckering parameters close to ideal values [Q = 0.498 (3) Å, θ = 53.7 (3)° and ϕ = 253.4 (4)°]. The crystal structure is stabilized by C—H⋯O, C—H⋯Cl and C—H⋯Br inter­actions.
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spelling pubmed-34149602012-08-17 1-(6-Bromo-3,4-dihydro-2H-1,4-benz­oxazin-4-yl)-2,2-dichloro­ethanone Ye, Fei Li, Ying Fu, Ying Zhao, Li-Xia Gao, Shuang Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(10)H(8)BrCl(2)NO(2), is a target mol­ecule in our research on herbicide safeners. The oxazine ring has an envelope conformation, with puckering parameters close to ideal values [Q = 0.498 (3) Å, θ = 53.7 (3)° and ϕ = 253.4 (4)°]. The crystal structure is stabilized by C—H⋯O, C—H⋯Cl and C—H⋯Br inter­actions. International Union of Crystallography 2012-07-21 /pmc/articles/PMC3414960/ /pubmed/22904947 http://dx.doi.org/10.1107/S1600536812032011 Text en © Ye et al. 2012 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
Ye, Fei
Li, Ying
Fu, Ying
Zhao, Li-Xia
Gao, Shuang
1-(6-Bromo-3,4-dihydro-2H-1,4-benz­oxazin-4-yl)-2,2-dichloro­ethanone
title 1-(6-Bromo-3,4-dihydro-2H-1,4-benz­oxazin-4-yl)-2,2-dichloro­ethanone
title_full 1-(6-Bromo-3,4-dihydro-2H-1,4-benz­oxazin-4-yl)-2,2-dichloro­ethanone
title_fullStr 1-(6-Bromo-3,4-dihydro-2H-1,4-benz­oxazin-4-yl)-2,2-dichloro­ethanone
title_full_unstemmed 1-(6-Bromo-3,4-dihydro-2H-1,4-benz­oxazin-4-yl)-2,2-dichloro­ethanone
title_short 1-(6-Bromo-3,4-dihydro-2H-1,4-benz­oxazin-4-yl)-2,2-dichloro­ethanone
title_sort 1-(6-bromo-3,4-dihydro-2h-1,4-benz­oxazin-4-yl)-2,2-dichloro­ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414960/
https://www.ncbi.nlm.nih.gov/pubmed/22904947
http://dx.doi.org/10.1107/S1600536812032011
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