Acta Cryst. (2005). E61, o2646-o2648  [ doi:10.1107/S1600536805022695 ]

Brucinium toluene-4-sulfonate trihydrate at 130 K

G. Smith, U. D. Wermuth, P. C. Healy, D. J. Young and J. M. White

Abstract: The low-temperature (130 K) structure of the 1:1 proton-transfer compound of brucine with toluene-4-sulfonic acid (systematic name: 2,3-dimethoxy-10-oxostrychnidinium toluene-4-sulfonate trihydrate), C₂₃H₂₇N₂O₄⁺·C₇H₇O₃S^-·3H₂O, has been determined. The asymmetric unit contains two cations, two anions and six molecules of water. Brucinium cations form the familiar undulating head-to-tail ribbon structures, which associate with the toluene-4-sulfonate anions and the water molecules in the interstitial cavities through hydrogen-bonding associations involving all available donor and acceptor atoms on all species. The result is a framework polymer structure.

Online 23 July 2005

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