2,4,6-Tri­nitro­phenyl 4-bromo­benzoate

In the title benzoate derivative, C(13)H(6)BrN(3)O(8), the benzene rings form a dihedral angle of 80.90 (9)°. The ester moiety forms dihedral angles of 3.2 (2) and 82.8 4(10)° with the benzene and picryl rings, respectively. The Br atom is disordered over two positions, with the site occupancy for t...

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Detalles Bibliográficos
Autor principal: Moreno-Fuquen, Rodolfo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4004434/
https://www.ncbi.nlm.nih.gov/pubmed/24860290
http://dx.doi.org/10.1107/S1600536813031061
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author Moreno-Fuquen, Rodolfo
author_facet Moreno-Fuquen, Rodolfo
author_sort Moreno-Fuquen, Rodolfo
collection PubMed
description In the title benzoate derivative, C(13)H(6)BrN(3)O(8), the benzene rings form a dihedral angle of 80.90 (9)°. The ester moiety forms dihedral angles of 3.2 (2) and 82.8 4(10)° with the benzene and picryl rings, respectively. The Br atom is disordered over two positions, with the site occupancy for the minor component being 0.48 (4). The crystal structure features C—H⋯O inter­actions, which generate a three-dimensional network.
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spelling pubmed-40044342014-05-23 2,4,6-Tri­nitro­phenyl 4-bromo­benzoate Moreno-Fuquen, Rodolfo Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title benzoate derivative, C(13)H(6)BrN(3)O(8), the benzene rings form a dihedral angle of 80.90 (9)°. The ester moiety forms dihedral angles of 3.2 (2) and 82.8 4(10)° with the benzene and picryl rings, respectively. The Br atom is disordered over two positions, with the site occupancy for the minor component being 0.48 (4). The crystal structure features C—H⋯O inter­actions, which generate a three-dimensional network. International Union of Crystallography 2013-11-20 /pmc/articles/PMC4004434/ /pubmed/24860290 http://dx.doi.org/10.1107/S1600536813031061 Text en © Rodolfo Moreno-Fuquen 2013 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
Moreno-Fuquen, Rodolfo
2,4,6-Tri­nitro­phenyl 4-bromo­benzoate
title 2,4,6-Tri­nitro­phenyl 4-bromo­benzoate
title_full 2,4,6-Tri­nitro­phenyl 4-bromo­benzoate
title_fullStr 2,4,6-Tri­nitro­phenyl 4-bromo­benzoate
title_full_unstemmed 2,4,6-Tri­nitro­phenyl 4-bromo­benzoate
title_short 2,4,6-Tri­nitro­phenyl 4-bromo­benzoate
title_sort 2,4,6-tri­nitro­phenyl 4-bromo­benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4004434/
https://www.ncbi.nlm.nih.gov/pubmed/24860290
http://dx.doi.org/10.1107/S1600536813031061
work_keys_str_mv AT morenofuquenrodolfo 246trinitrophenyl4bromobenzoate

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