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(R,R)-Disynephrine ether bis-(hydrogen sulfate).


ABSTRACT: THE ASYMMETRIC UNIT OF THE TITLE COMPOUND [SYSTEMATIC NAME: (R,R)-2,4-bis-(4-hydroxy-phen-yl)-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 hydr-oxy 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.

SUBMITTER: Arbuckle W 

PROVIDER: S-EPMC2977255 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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(R,R)-Disynephrine ether bis-(hydrogen sulfate).

Arbuckle William W   Kennedy Alan R AR   Morrison Catriona A CA  

Acta crystallographica. Section E, Structure reports online 20090704 Pt 8


THE ASYMMETRIC UNIT OF THE TITLE COMPOUND [SYSTEMATIC NAME: (R,R)-2,4-bis-(4-hydroxy-phen-yl)-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 hydr-oxy group and amine H atoms of the cation to two hydrogen sulfate anions link the three  ...[more]

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