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(R,R)-Disynephrine ether bis­(hydrogen sulfate)

The asymmetric unit of the title compound [systematic name: (R,R)-2,4-bis­(4-hydroxy­phen­yl)-N,N′-dimethyl-3-oxapentane-1,5-diammonium bis­(hydrogen sulfate)], C(18)H(26)N(2)O(3) (2+)·2HSO(4) (−), contains one half-cation and one hydrogen sulfate anion. The cation has crystallographically imposed t...

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Detalles Bibliográficos
Autores principales: Arbuckle, William, Kennedy, Alan R., Morrison, Catriona A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977255/
https://www.ncbi.nlm.nih.gov/pubmed/21583478
http://dx.doi.org/10.1107/S1600536809025288
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author Arbuckle, William
Kennedy, Alan R.
Morrison, Catriona A.
author_facet Arbuckle, William
Kennedy, Alan R.
Morrison, Catriona A.
author_sort Arbuckle, William
collection PubMed
description The asymmetric unit of the title compound [systematic name: (R,R)-2,4-bis­(4-hydroxy­phen­yl)-N,N′-dimethyl-3-oxapentane-1,5-diammonium bis­(hydrogen sulfate)], C(18)H(26)N(2)O(3) (2+)·2HSO(4) (−), contains one half-cation and one hydrogen sulfate anion. The cation has crystallographically imposed twofold symmetry with the rotation axis passing through the central ether O atom. Hydrogen bonds between the hydr­oxy group and amine H atoms of the cation to two hydrogen sulfate anions link the three ions in a ring motif. A three-dimensional network is accomplished by additional O—H⋯O hydrogen bonds between the anions and by N—H⋯O hydrogen bonds between the cations. Disorder with equally occupied sites affects the H-atom position in the anion.
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spelling pubmed-29772552010-12-30 (R,R)-Disynephrine ether bis­(hydrogen sulfate) Arbuckle, William Kennedy, Alan R. Morrison, Catriona A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound [systematic name: (R,R)-2,4-bis­(4-hydroxy­phen­yl)-N,N′-dimethyl-3-oxapentane-1,5-diammonium bis­(hydrogen sulfate)], C(18)H(26)N(2)O(3) (2+)·2HSO(4) (−), contains one half-cation and one hydrogen sulfate anion. The cation has crystallographically imposed twofold symmetry with the rotation axis passing through the central ether O atom. Hydrogen bonds between the hydr­oxy group and amine H atoms of the cation to two hydrogen sulfate anions link the three ions in a ring motif. A three-dimensional network is accomplished by additional O—H⋯O hydrogen bonds between the anions and by N—H⋯O hydrogen bonds between the cations. Disorder with equally occupied sites affects the H-atom position in the anion. International Union of Crystallography 2009-07-04 /pmc/articles/PMC2977255/ /pubmed/21583478 http://dx.doi.org/10.1107/S1600536809025288 Text en © Arbuckle 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
Arbuckle, William
Kennedy, Alan R.
Morrison, Catriona A.
(R,R)-Disynephrine ether bis­(hydrogen sulfate)
title (R,R)-Disynephrine ether bis­(hydrogen sulfate)
title_full (R,R)-Disynephrine ether bis­(hydrogen sulfate)
title_fullStr (R,R)-Disynephrine ether bis­(hydrogen sulfate)
title_full_unstemmed (R,R)-Disynephrine ether bis­(hydrogen sulfate)
title_short (R,R)-Disynephrine ether bis­(hydrogen sulfate)
title_sort (r,r)-disynephrine ether bis­(hydrogen sulfate)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977255/
https://www.ncbi.nlm.nih.gov/pubmed/21583478
http://dx.doi.org/10.1107/S1600536809025288
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