Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 6 (June 2006)

organic compounds

gz3010 scheme

Acta Cryst. (2006). C62, o353-o357 [ doi:10.1107/S0108270106017288 ]

Brucine salts of L--hydroxy acids: brucinium hydrogen (S)-malate pentahydrate and anhydrous brucinium hydrogen (2R,3R)-tartrate at 130 K

G. Smith, U. D. Wermuth and J. M. White

Abstract: The structures of two brucinium (2,3-dimethoxy-10-oxostrychnidinium) salts of the [alpha] -hydroxy acids L-malic acid and L-tartaric acid, namely brucinium hydrogen (S)-malate pentahydrate, C₂₃H₂₇N₂O₄⁺·C₄H₅O₅^-·5H₂O, (I), and anhydrous brucinium hydrogen (2R,3R)-tartrate, C₂₃H₂₇N₂O₄⁺·C₄H₅O₆^-,(II), have been determined at 130 K. Compound (I) has two brucinium cations, two hydrogen malate anions and ten water molecules of solvation in the asymmetric unit, and forms an extensively hydrogen-bonded three-dimensional framework structure. In compound (II), the brucinium cations form the common undulating brucine sheet substructures, which accommodate parallel chains of head-to-tail hydrogen-bonded tartrate anion species in the interstitial cavities.

Formula: C₂₃H₂₇N₂O₄⁺·C₄H₅O₅^-·5H₂O and C₂₃H₂₇N₂O₄⁺·C₄H₅O₆^-


	Structure factor file (CIF format) (284.2 kbytes) [ doi:10.1107/S0108270106017288/gz3010Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (258.5 kbytes) [ doi:10.1107/S0108270106017288/gz3010IIsup3.hkl ] Contains datablock II

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