Isotypic crystal structures of 2,6-di­bromo-N,N-bis­(4-nitro­phen­yl)aniline and 2,6-di­chloro-N,N-bis­(4-nitro­phen­yl)aniline

In the mol­ecules of the two isotypic title compounds, C(18)H(11)Br(2)N(3)O(4) (I) and C(18)H(11)Cl(2)N(3)O(4) (II), the tri­phenyl­amine N atoms show no sign of pyramidalization, with marginal displacements of the N atoms from the mean plane of the three connecting C atoms: 0.0058 (13) Å for the Br...

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Autores principales: Kautny, Paul, Fröhlich, Johannes, Stöger, Berthold, Weil, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158496/
https://www.ncbi.nlm.nih.gov/pubmed/25249856
http://dx.doi.org/10.1107/S1600536814010964
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author Kautny, Paul
Fröhlich, Johannes
Stöger, Berthold
Weil, Matthias
author_facet Kautny, Paul
Fröhlich, Johannes
Stöger, Berthold
Weil, Matthias
author_sort Kautny, Paul
collection PubMed
description In the mol­ecules of the two isotypic title compounds, C(18)H(11)Br(2)N(3)O(4) (I) and C(18)H(11)Cl(2)N(3)O(4) (II), the tri­phenyl­amine N atoms show no sign of pyramidalization, with marginal displacements of the N atoms from the mean plane of the three connecting C atoms: 0.0058 (13) Å for the Br compound (I) and 0.0074 (9) Å for the Cl compound (II). In the crystals, mol­ecules are linked through C—H⋯O hydrogen bonds between phenyl rings and nitro groups and by X⋯O (X = Br, Cl) inter­actions, that are shorter than the sum of the van der Waals radii, leading to a three-dimensional network.
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spelling pubmed-41584962014-09-23 Isotypic crystal structures of 2,6-di­bromo-N,N-bis­(4-nitro­phen­yl)aniline and 2,6-di­chloro-N,N-bis­(4-nitro­phen­yl)aniline Kautny, Paul Fröhlich, Johannes Stöger, Berthold Weil, Matthias Acta Crystallogr Sect E Struct Rep Online Research Communications In the mol­ecules of the two isotypic title compounds, C(18)H(11)Br(2)N(3)O(4) (I) and C(18)H(11)Cl(2)N(3)O(4) (II), the tri­phenyl­amine N atoms show no sign of pyramidalization, with marginal displacements of the N atoms from the mean plane of the three connecting C atoms: 0.0058 (13) Å for the Br compound (I) and 0.0074 (9) Å for the Cl compound (II). In the crystals, mol­ecules are linked through C—H⋯O hydrogen bonds between phenyl rings and nitro groups and by X⋯O (X = Br, Cl) inter­actions, that are shorter than the sum of the van der Waals radii, leading to a three-dimensional network. International Union of Crystallography 2014-07-19 /pmc/articles/PMC4158496/ /pubmed/25249856 http://dx.doi.org/10.1107/S1600536814010964 Text en © Kautny et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Kautny, Paul
Fröhlich, Johannes
Stöger, Berthold
Weil, Matthias
Isotypic crystal structures of 2,6-di­bromo-N,N-bis­(4-nitro­phen­yl)aniline and 2,6-di­chloro-N,N-bis­(4-nitro­phen­yl)aniline
title Isotypic crystal structures of 2,6-di­bromo-N,N-bis­(4-nitro­phen­yl)aniline and 2,6-di­chloro-N,N-bis­(4-nitro­phen­yl)aniline
title_full Isotypic crystal structures of 2,6-di­bromo-N,N-bis­(4-nitro­phen­yl)aniline and 2,6-di­chloro-N,N-bis­(4-nitro­phen­yl)aniline
title_fullStr Isotypic crystal structures of 2,6-di­bromo-N,N-bis­(4-nitro­phen­yl)aniline and 2,6-di­chloro-N,N-bis­(4-nitro­phen­yl)aniline
title_full_unstemmed Isotypic crystal structures of 2,6-di­bromo-N,N-bis­(4-nitro­phen­yl)aniline and 2,6-di­chloro-N,N-bis­(4-nitro­phen­yl)aniline
title_short Isotypic crystal structures of 2,6-di­bromo-N,N-bis­(4-nitro­phen­yl)aniline and 2,6-di­chloro-N,N-bis­(4-nitro­phen­yl)aniline
title_sort isotypic crystal structures of 2,6-di­bromo-n,n-bis­(4-nitro­phen­yl)aniline and 2,6-di­chloro-n,n-bis­(4-nitro­phen­yl)aniline
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158496/
https://www.ncbi.nlm.nih.gov/pubmed/25249856
http://dx.doi.org/10.1107/S1600536814010964
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