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N,N,N-Trimethyl-N-(methyl 5-de-oxy-2,3-O-iso-propyl-idene-β-d-ribo-furan-osid-5-yl)ammonium 4-methyl-benzene-sulfonate sesquihydrate. | LitMetric
The structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydro-phobic 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 tosyl-ate-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 mol-ecules 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 (1)H and (13)C NMR spectroscopic data are also presented.
Publication Analysis
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sesquihydrate structure
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compound [c12h24no4][c7h7o3s]·15h2o
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