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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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 |
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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 |
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