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2,2′-Bipyridin-1′-ium 1-oxide bromide monohydrate
The title compound 2,2′-bipyridin-1′-ium 1-oxide bromide crystallizes as a monohydrate, C(10)H(9)N(2) (+)·Br(−)·H(2)O. Structural disorder is observed due to the fact that protonation, as well as oxidation, of the N atoms of 2,2′-bipyridine occurs at either of the N atoms. The disorder extends to t...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947799/ https://www.ncbi.nlm.nih.gov/pubmed/29765719 http://dx.doi.org/10.1107/S2056989018002347 |
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author | Heintz, Katharina Görls, Helmar Imhof, Wolfgang |
author_facet | Heintz, Katharina Görls, Helmar Imhof, Wolfgang |
author_sort | Heintz, Katharina |
collection | PubMed |
description | The title compound 2,2′-bipyridin-1′-ium 1-oxide bromide crystallizes as a monohydrate, C(10)H(9)N(2) (+)·Br(−)·H(2)O. Structural disorder is observed due to the fact that protonation, as well as oxidation, of the N atoms of 2,2′-bipyridine occurs at either of the N atoms. The disorder extends to the remainder of the cation, with a refined occupancy rate of 0.717 (4) for the major moiety. An intramolecular N—H⋯O hydrogen bond forces the bipyridine unit into an s-cis conformation. Each pair of neighbouring 2,2′-bipyridin-1′-ium ions forms a dimeric aggregate by hydrogen bonds between their respective N—O and the N—H functions. These dimers and hydrogen-bonding interactions with bromide ions and the water molecule give rise to a complex supramolecular arrangement. |
format | Online Article Text |
id | pubmed-5947799 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-59477992018-05-15 2,2′-Bipyridin-1′-ium 1-oxide bromide monohydrate Heintz, Katharina Görls, Helmar Imhof, Wolfgang Acta Crystallogr E Crystallogr Commun Research Communications The title compound 2,2′-bipyridin-1′-ium 1-oxide bromide crystallizes as a monohydrate, C(10)H(9)N(2) (+)·Br(−)·H(2)O. Structural disorder is observed due to the fact that protonation, as well as oxidation, of the N atoms of 2,2′-bipyridine occurs at either of the N atoms. The disorder extends to the remainder of the cation, with a refined occupancy rate of 0.717 (4) for the major moiety. An intramolecular N—H⋯O hydrogen bond forces the bipyridine unit into an s-cis conformation. Each pair of neighbouring 2,2′-bipyridin-1′-ium ions forms a dimeric aggregate by hydrogen bonds between their respective N—O and the N—H functions. These dimers and hydrogen-bonding interactions with bromide ions and the water molecule give rise to a complex supramolecular arrangement. International Union of Crystallography 2018-02-13 /pmc/articles/PMC5947799/ /pubmed/29765719 http://dx.doi.org/10.1107/S2056989018002347 Text en © Heintz et al. 2018 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 Heintz, Katharina Görls, Helmar Imhof, Wolfgang 2,2′-Bipyridin-1′-ium 1-oxide bromide monohydrate |
title | 2,2′-Bipyridin-1′-ium 1-oxide bromide monohydrate |
title_full | 2,2′-Bipyridin-1′-ium 1-oxide bromide monohydrate |
title_fullStr | 2,2′-Bipyridin-1′-ium 1-oxide bromide monohydrate |
title_full_unstemmed | 2,2′-Bipyridin-1′-ium 1-oxide bromide monohydrate |
title_short | 2,2′-Bipyridin-1′-ium 1-oxide bromide monohydrate |
title_sort | 2,2′-bipyridin-1′-ium 1-oxide bromide monohydrate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947799/ https://www.ncbi.nlm.nih.gov/pubmed/29765719 http://dx.doi.org/10.1107/S2056989018002347 |
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