Cargando…

Tris(cis-2-hy­droxy­cyclo­hexane-1,3,5-tri­aminium) hydrogen sulfate octa­chloride dihydrate

The 2-hy­droxy­cyclo­hexane-1,3,5-triaminium (= H(3) L (3+)) cation of the title compound, 3C(6)H(18)N(3)O(3+)·8Cl(−)·HSO(4) (−)·2H(2)O, exhibits a cyclo­hexane chair with three equatorial ammonium groups and one axial hy­droxy group in an all-cis configuration. The hydrogen sulfate anion and two wa...

Descripción completa

Detalles Bibliográficos
Autores principales: Neis, Christian, Merten, Günter J., Hegetschweiler, Kaspar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379457/
https://www.ncbi.nlm.nih.gov/pubmed/22719655
http://dx.doi.org/10.1107/S1600536812022374
_version_ 1782236204320686080
author Neis, Christian
Merten, Günter J.
Hegetschweiler, Kaspar
author_facet Neis, Christian
Merten, Günter J.
Hegetschweiler, Kaspar
author_sort Neis, Christian
collection PubMed
description The 2-hy­droxy­cyclo­hexane-1,3,5-triaminium (= H(3) L (3+)) cation of the title compound, 3C(6)H(18)N(3)O(3+)·8Cl(−)·HSO(4) (−)·2H(2)O, exhibits a cyclo­hexane chair with three equatorial ammonium groups and one axial hy­droxy group in an all-cis configuration. The hydrogen sulfate anion and two water mol­ecules lie on or in proximity to a threefold axis and are disordered. The crystal structure features N—H⋯Cl and O—H⋯Cl hydrogen bonds. Three C (3)-symmetric motifs can be identified in the structure: (i) Two chloride ions (on the C (3)-axis) together with three H(3) L (3+) cations constitute an [(H(3) L)(3)Cl(2)](7+) cage. (ii) The lipophilic C(6)H(6)-sides of three H(3) L (3+) cations, which are oriented directly towards the C (3)-axis, generate a lipophilic void. The void is filled with the disordered water mol­ecules and with the disordered part of the hydrogen sulfate ion. The hydrogen atoms of these disordered moieties were not located. (iii) Three H(3) L (3+) cations together with one HSO(4) (−) and three Cl(−) counter-ions form an [(HSO(4))(H(3) L)(3)Cl(3)](5+) cage. Looking along the C (3)-axis, these three motifs are arranged in the order (cage 1)⋯(lipophilic void)⋯(cage 2). The crystal studied was found to be a racemic twin.
format Online
Article
Text
id pubmed-3379457
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33794572012-06-20 Tris(cis-2-hy­droxy­cyclo­hexane-1,3,5-tri­aminium) hydrogen sulfate octa­chloride dihydrate Neis, Christian Merten, Günter J. Hegetschweiler, Kaspar Acta Crystallogr Sect E Struct Rep Online Organic Papers The 2-hy­droxy­cyclo­hexane-1,3,5-triaminium (= H(3) L (3+)) cation of the title compound, 3C(6)H(18)N(3)O(3+)·8Cl(−)·HSO(4) (−)·2H(2)O, exhibits a cyclo­hexane chair with three equatorial ammonium groups and one axial hy­droxy group in an all-cis configuration. The hydrogen sulfate anion and two water mol­ecules lie on or in proximity to a threefold axis and are disordered. The crystal structure features N—H⋯Cl and O—H⋯Cl hydrogen bonds. Three C (3)-symmetric motifs can be identified in the structure: (i) Two chloride ions (on the C (3)-axis) together with three H(3) L (3+) cations constitute an [(H(3) L)(3)Cl(2)](7+) cage. (ii) The lipophilic C(6)H(6)-sides of three H(3) L (3+) cations, which are oriented directly towards the C (3)-axis, generate a lipophilic void. The void is filled with the disordered water mol­ecules and with the disordered part of the hydrogen sulfate ion. The hydrogen atoms of these disordered moieties were not located. (iii) Three H(3) L (3+) cations together with one HSO(4) (−) and three Cl(−) counter-ions form an [(HSO(4))(H(3) L)(3)Cl(3)](5+) cage. Looking along the C (3)-axis, these three motifs are arranged in the order (cage 1)⋯(lipophilic void)⋯(cage 2). The crystal studied was found to be a racemic twin. International Union of Crystallography 2012-05-26 /pmc/articles/PMC3379457/ /pubmed/22719655 http://dx.doi.org/10.1107/S1600536812022374 Text en © Neis et al. 2012 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
Neis, Christian
Merten, Günter J.
Hegetschweiler, Kaspar
Tris(cis-2-hy­droxy­cyclo­hexane-1,3,5-tri­aminium) hydrogen sulfate octa­chloride dihydrate
title Tris(cis-2-hy­droxy­cyclo­hexane-1,3,5-tri­aminium) hydrogen sulfate octa­chloride dihydrate
title_full Tris(cis-2-hy­droxy­cyclo­hexane-1,3,5-tri­aminium) hydrogen sulfate octa­chloride dihydrate
title_fullStr Tris(cis-2-hy­droxy­cyclo­hexane-1,3,5-tri­aminium) hydrogen sulfate octa­chloride dihydrate
title_full_unstemmed Tris(cis-2-hy­droxy­cyclo­hexane-1,3,5-tri­aminium) hydrogen sulfate octa­chloride dihydrate
title_short Tris(cis-2-hy­droxy­cyclo­hexane-1,3,5-tri­aminium) hydrogen sulfate octa­chloride dihydrate
title_sort tris(cis-2-hy­droxy­cyclo­hexane-1,3,5-tri­aminium) hydrogen sulfate octa­chloride dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379457/
https://www.ncbi.nlm.nih.gov/pubmed/22719655
http://dx.doi.org/10.1107/S1600536812022374
work_keys_str_mv AT neischristian triscis2hydroxycyclohexane135triaminiumhydrogensulfateoctachloridedihydrate
AT mertengunterj triscis2hydroxycyclohexane135triaminiumhydrogensulfateoctachloridedihydrate
AT hegetschweilerkaspar triscis2hydroxycyclohexane135triaminiumhydrogensulfateoctachloridedihydrate