Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)

organic compounds

Acta Cryst. (2013). E69, o1019-o1020    [ doi:10.1107/S1600536813014797 ]

N,N,N-Trimethyl-N-(methyl 5-de­oxy-2,3-O-iso­propyl­idene-[beta]-D-ribo­furan­osid-5-yl)ammonium 4-methyl­benzene­sulfonate sesquihydrate

B. Dmochowska, K. Sikora, J. Chojnacki, W. Wojnowski and A. Wisniewski

Abstract: The structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydro­phobic and polar character, stabilized by C-H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O-C(methine) bonds. A comparison to related compounds is presented. The tosyl­ate-O atoms were disordered over two positions with the major component having a site occupancy factor = 0.566 (12). The structure was refined as a rotary twin with regard to rotation about the c axis with the contribution of the second component being 0.0048 (6). Solvate water mol­ecules are highly disordered and were removed using the SQUEEZE procedure; the unit cell characteristics take into account the presence of the disordered solvent. High-resolution 1H and 13C NMR spectroscopic data are also presented.

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