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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...

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Detalles Bibliográficos
Autores principales: Heintz, Katharina, Görls, Helmar, Imhof, Wolfgang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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.
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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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