title: Redetermination of bis-{(1S,2S,4S,5R)-2-[(R)-hy-droxy(6-meth-oxy-4-quinol-yl)meth-yl]-5-vinyl-quinuclidinium} sulfate dihydrate.
abstract: The structure of the title compound, known as quinine sulfate dihydrate, 2C(20)H(25)N(2)O(2) (+)·SO(4) (2-)·2H(2)O, was previously reported by Mendel [Proc. K. Ned. Akad. Wet. (1955), 58, 132-134], but only the [010] projection was determined. Hence, we have redetermined its crystal structure at 100 K using three-dimensional data. The asymmetric unit consists of a quininium cation, viz. (R)-(6-meth-oxy-quinolinium-4-yl)[(1S,2S,4S,5R)-5-vinyl-quinuclid-in-ium-2-yl]methanol, one half of a sulfate anion and a water mol-ecule. The S atom occupies a special position on a twofold axis. The packing is characterized by infinite columns, consisting of sulfate anions and water mol-ecules, linked through hydrogen bonds along the b axis, and further stabilized by hydrogen bonds to quininium cations. The quininium cations inter-act further through C-H⋯O and C-H⋯π inter-actions.
authors: Katholieke Universiteit Leuven, Department of Chemistry, Celestijnenlaan 200F, B-3001 Leuven (Heverlee), Belgium.
authors: Peter
authors: P
authors: Mangwala Kimpende
authors: Luc
authors: L
authors: Van Meervelt
references: Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22
references: 18156677
references: Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55
references: 19171970
references: Biochemistry. 1980 Apr 15;19(8):1543-9
references: 6990976