N,N,N-Trimethyl-N-(methyl 5-de-oxy-2,3-O-iso-propyl-idene-?-d-ribo-furan-osid-5-yl)ammonium 4-methyl-benzene-sulfonate sesquihydrate.

ABSTRACT: 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.

SUBMITTER: Dmochowska B 

PROVIDER: S-EPMC3772458 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature