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Tris(cis-2-hy-droxy-cyclo-hexane-1,3,5-tri-aminium) hydrogen sulfate octa-chloride dihydrate.

Neis C, Merten GJ, Hegetschweiler K - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The void is filled with the disordered water mol-ecules 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).

View Article: PubMed Central - HTML - PubMed

Affiliation: Fachrichtung Chemie, Universität des Saarlandes, Postfach 151150, D-66041 Saarbrücken, Germany.

ABSTRACT
The 2-hy-droxy-cyclo-hexane-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 cyclo-hexane chair with three equatorial ammonium groups and one axial hy-droxy group in an all-cis configuration. The hydrogen sulfate anion and two water mol-ecules 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 mol-ecules 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.

No MeSH data available.


Related in: MedlinePlus

Ellipsoid plot (50% probability level) and numbering scheme of the title compound. Symmetry Codes: O12' 1 - y, x-y, z; O12" 1 - x + y, 1 - x, z.
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Fap1: Ellipsoid plot (50% probability level) and numbering scheme of the title compound. Symmetry Codes: O12' 1 - y, x-y, z; O12" 1 - x + y, 1 - x, z.


Tris(cis-2-hy-droxy-cyclo-hexane-1,3,5-tri-aminium) hydrogen sulfate octa-chloride dihydrate.

Neis C, Merten GJ, Hegetschweiler K - Acta Crystallogr Sect E Struct Rep Online (2012)

Ellipsoid plot (50% probability level) and numbering scheme of the title compound. Symmetry Codes: O12' 1 - y, x-y, z; O12" 1 - x + y, 1 - x, z.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379457&req=5

Fap1: Ellipsoid plot (50% probability level) and numbering scheme of the title compound. Symmetry Codes: O12' 1 - y, x-y, z; O12" 1 - x + y, 1 - x, z.
Bottom Line: The void is filled with the disordered water mol-ecules 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).

View Article: PubMed Central - HTML - PubMed

Affiliation: Fachrichtung Chemie, Universität des Saarlandes, Postfach 151150, D-66041 Saarbrücken, Germany.

ABSTRACT
The 2-hy-droxy-cyclo-hexane-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 cyclo-hexane chair with three equatorial ammonium groups and one axial hy-droxy group in an all-cis configuration. The hydrogen sulfate anion and two water mol-ecules 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 mol-ecules 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.

No MeSH data available.


Related in: MedlinePlus