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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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2977255 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT arbucklewilliam rrdisynephrineetherbishydrogensulfate AT kennedyalanr rrdisynephrineetherbishydrogensulfate AT morrisoncatrionaa rrdisynephrineetherbishydrogensulfate |