4,7-Diaza-1-azoniacyclo­nonane bromide

The title compound, C(6)H(16)N(3) (+)·Br(−), is the bromide of the monoprotonated aza­macrocyclic triamine 1,4,7-triaza­cyclo­nonane (tacn). The threefold axis of the triamine is broken by the protonation of one of the three amine functions. The ammonium proton is bonded in an intra­molecular symmet...

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Detalles Bibliográficos
Autores principales: Allscher, Thorsten, Klüfers, Peter, Neumann, Christine
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977258/
https://www.ncbi.nlm.nih.gov/pubmed/21583449
http://dx.doi.org/10.1107/S1600536809024313
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author Allscher, Thorsten
Klüfers, Peter
Neumann, Christine
author_facet Allscher, Thorsten
Klüfers, Peter
Neumann, Christine
author_sort Allscher, Thorsten
collection PubMed
description The title compound, C(6)H(16)N(3) (+)·Br(−), is the bromide of the monoprotonated aza­macrocyclic triamine 1,4,7-triaza­cyclo­nonane (tacn). The threefold axis of the triamine is broken by the protonation of one of the three amine functions. The ammonium proton is bonded in an intra­molecular symmetrically bifurcated hydrogen bond to the two endodentate amine functions. Direct cation–anion contacts are established via N—H⋯Br hydrogen bonds between the bromide anions and tacnH(+) cations.
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spelling pubmed-29772582010-12-30 4,7-Diaza-1-azoniacyclo­nonane bromide Allscher, Thorsten Klüfers, Peter Neumann, Christine Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(6)H(16)N(3) (+)·Br(−), is the bromide of the monoprotonated aza­macrocyclic triamine 1,4,7-triaza­cyclo­nonane (tacn). The threefold axis of the triamine is broken by the protonation of one of the three amine functions. The ammonium proton is bonded in an intra­molecular symmetrically bifurcated hydrogen bond to the two endodentate amine functions. Direct cation–anion contacts are established via N—H⋯Br hydrogen bonds between the bromide anions and tacnH(+) cations. International Union of Crystallography 2009-07-01 /pmc/articles/PMC2977258/ /pubmed/21583449 http://dx.doi.org/10.1107/S1600536809024313 Text en © Allscher et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Allscher, Thorsten
Klüfers, Peter
Neumann, Christine
4,7-Diaza-1-azoniacyclo­nonane bromide
title 4,7-Diaza-1-azoniacyclo­nonane bromide
title_full 4,7-Diaza-1-azoniacyclo­nonane bromide
title_fullStr 4,7-Diaza-1-azoniacyclo­nonane bromide
title_full_unstemmed 4,7-Diaza-1-azoniacyclo­nonane bromide
title_short 4,7-Diaza-1-azoniacyclo­nonane bromide
title_sort 4,7-diaza-1-azoniacyclo­nonane bromide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977258/
https://www.ncbi.nlm.nih.gov/pubmed/21583449
http://dx.doi.org/10.1107/S1600536809024313
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AT kluferspeter 47diaza1azoniacyclononanebromide
AT neumannchristine 47diaza1azoniacyclononanebromide

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