Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)


organic compounds



tk5228 scheme

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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