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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...

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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
Descripción
Sumario: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.