1-(4,5-Dinitro-10-aza­tricyclo­[6.3.1.0(2,7)]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro­ethanone

In the title compound, C(13)H(10)F(3)N(3)O(5), a derivative of andrographolide, the five-membered ring adopts an envelope conformation, while the non-planar six-membered ring has a chair conformation. An intra­molecular C—H⋯F hydrogen bond results in the formation of a non-planar six-membered ring a...

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Detalles Bibliográficos
Autores principales: Xu, Hao, Quan, Ji-Cai, Xu, Jian, Chen, Jing, Wang, Jin-Tang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959852/
https://www.ncbi.nlm.nih.gov/pubmed/21581393
http://dx.doi.org/10.1107/S1600536808028158
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author Xu, Hao
Quan, Ji-Cai
Xu, Jian
Chen, Jing
Wang, Jin-Tang
author_facet Xu, Hao
Quan, Ji-Cai
Xu, Jian
Chen, Jing
Wang, Jin-Tang
author_sort Xu, Hao
collection PubMed
description In the title compound, C(13)H(10)F(3)N(3)O(5), a derivative of andrographolide, the five-membered ring adopts an envelope conformation, while the non-planar six-membered ring has a chair conformation. An intra­molecular C—H⋯F hydrogen bond results in the formation of a non-planar six-membered ring adopting a twisted conformation. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers.
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spelling pubmed-29598522010-12-30 1-(4,5-Dinitro-10-aza­tricyclo­[6.3.1.0(2,7)]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro­ethanone Xu, Hao Quan, Ji-Cai Xu, Jian Chen, Jing Wang, Jin-Tang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(10)F(3)N(3)O(5), a derivative of andrographolide, the five-membered ring adopts an envelope conformation, while the non-planar six-membered ring has a chair conformation. An intra­molecular C—H⋯F hydrogen bond results in the formation of a non-planar six-membered ring adopting a twisted conformation. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers. International Union of Crystallography 2008-11-22 /pmc/articles/PMC2959852/ /pubmed/21581393 http://dx.doi.org/10.1107/S1600536808028158 Text en © Xu et al. 2008 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
Xu, Hao
Quan, Ji-Cai
Xu, Jian
Chen, Jing
Wang, Jin-Tang
1-(4,5-Dinitro-10-aza­tricyclo­[6.3.1.0(2,7)]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro­ethanone
title 1-(4,5-Dinitro-10-aza­tricyclo­[6.3.1.0(2,7)]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro­ethanone
title_full 1-(4,5-Dinitro-10-aza­tricyclo­[6.3.1.0(2,7)]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro­ethanone
title_fullStr 1-(4,5-Dinitro-10-aza­tricyclo­[6.3.1.0(2,7)]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro­ethanone
title_full_unstemmed 1-(4,5-Dinitro-10-aza­tricyclo­[6.3.1.0(2,7)]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro­ethanone
title_short 1-(4,5-Dinitro-10-aza­tricyclo­[6.3.1.0(2,7)]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro­ethanone
title_sort 1-(4,5-dinitro-10-aza­tricyclo­[6.3.1.0(2,7)]dodeca-2,4,6-trien-10-yl)-2,2,2-trifluoro­ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959852/
https://www.ncbi.nlm.nih.gov/pubmed/21581393
http://dx.doi.org/10.1107/S1600536808028158
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