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A long symmetric N⋯H⋯N hydrogen bond in bis­(4-amino­pyridinium)(1+) azide(1−): redetermination from the original data

The structure of the title mol­ecular salt, C(10)H(13)N(4) (+)·N(3) (−), has been redetermined from the data published by Qian & Huang [Acta Cryst. (2010), E66, o3086; refcode WACMIY (Groom et al., 2016)]. The improvement of the present redetermination consists in a correction of the site-occupa...

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Autor principal: Fábry, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588577/
https://www.ncbi.nlm.nih.gov/pubmed/28932471
http://dx.doi.org/10.1107/S2056989017011537
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author Fábry, Jan
author_facet Fábry, Jan
author_sort Fábry, Jan
collection PubMed
description The structure of the title mol­ecular salt, C(10)H(13)N(4) (+)·N(3) (−), has been redetermined from the data published by Qian & Huang [Acta Cryst. (2010), E66, o3086; refcode WACMIY (Groom et al., 2016)]. The improvement of the present redetermination consists in a correction of the site-occupancy parameter of the bridging H atom between the pyridine rings, as well as of its position. The present study has shown that the bridging H atom (site symmetry 2) is involved in a symmetric N⋯H⋯N hydrogen bond, which is one of the longest ever observed [N⋯N = 2.678 (3) Å]. In addition, there are also present weaker N(am)—H⋯N(az) hydrogen bonds (am = amine and az = azide) of moderate strength and π-electron pyridine⋯π-electron inter­actions in the structure. All the azide N atoms also lie on a twofold axis.
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spelling pubmed-55885772017-09-20 A long symmetric N⋯H⋯N hydrogen bond in bis­(4-amino­pyridinium)(1+) azide(1−): redetermination from the original data Fábry, Jan Acta Crystallogr E Crystallogr Commun Research Communications The structure of the title mol­ecular salt, C(10)H(13)N(4) (+)·N(3) (−), has been redetermined from the data published by Qian & Huang [Acta Cryst. (2010), E66, o3086; refcode WACMIY (Groom et al., 2016)]. The improvement of the present redetermination consists in a correction of the site-occupancy parameter of the bridging H atom between the pyridine rings, as well as of its position. The present study has shown that the bridging H atom (site symmetry 2) is involved in a symmetric N⋯H⋯N hydrogen bond, which is one of the longest ever observed [N⋯N = 2.678 (3) Å]. In addition, there are also present weaker N(am)—H⋯N(az) hydrogen bonds (am = amine and az = azide) of moderate strength and π-electron pyridine⋯π-electron inter­actions in the structure. All the azide N atoms also lie on a twofold axis. International Union of Crystallography 2017-08-15 /pmc/articles/PMC5588577/ /pubmed/28932471 http://dx.doi.org/10.1107/S2056989017011537 Text en © Jan Fábry 2017 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
Fábry, Jan
A long symmetric N⋯H⋯N hydrogen bond in bis­(4-amino­pyridinium)(1+) azide(1−): redetermination from the original data
title A long symmetric N⋯H⋯N hydrogen bond in bis­(4-amino­pyridinium)(1+) azide(1−): redetermination from the original data
title_full A long symmetric N⋯H⋯N hydrogen bond in bis­(4-amino­pyridinium)(1+) azide(1−): redetermination from the original data
title_fullStr A long symmetric N⋯H⋯N hydrogen bond in bis­(4-amino­pyridinium)(1+) azide(1−): redetermination from the original data
title_full_unstemmed A long symmetric N⋯H⋯N hydrogen bond in bis­(4-amino­pyridinium)(1+) azide(1−): redetermination from the original data
title_short A long symmetric N⋯H⋯N hydrogen bond in bis­(4-amino­pyridinium)(1+) azide(1−): redetermination from the original data
title_sort long symmetric n⋯h⋯n hydrogen bond in bis­(4-amino­pyridinium)(1+) azide(1−): redetermination from the original data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588577/
https://www.ncbi.nlm.nih.gov/pubmed/28932471
http://dx.doi.org/10.1107/S2056989017011537
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