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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2017
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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. |
format | Online Article Text |
id | pubmed-5588577 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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