Structure Reports Online

Volume 68, Part 3 (March 2012)

organic compounds

ez2283 scheme

Acta Cryst. (2012). E68, o898-o899 [ doi:10.1107/S1600536812007805 ]

1-Methyl-2-[(E)-2,4,5-trimethoxystyryl]pyridinium benzenesulfonate monohydrate

H.-K. Fun, S. Chantrapromma, P. Ruanwas, T. Anantapong and N. Boonnak

Abstract: The asymmetric unit of the title compound, C₁₇H₂₀NO₃⁺·C₆H₅O₃S^-·H₂O, comprises two 1-methyl-2-[(E)-2,4,5-trimethoxystyryl]pyridinium cations, two benzenesulfonate anions and two water molecules. The cations exist in the E conformation with respect to the C=C bond; one cation is essentially planar while the other is slightly twisted, the dihedral angles between the pyridinium and phenyl rings being 1.23 (14) and 6.64 (13)°, respectively. In the crystal, cations, anions and water molecules are linked by O-HO hydrogen bonds and weak C-HO interactions into chains along the b axis. [pi] - [pi] interactions with centroid-centroid distances in the range 3.5557 (16)-3.6876 (16) Å are observed. C-H [pi] interactions and a CO short contact [2.94 (4) Å] are also observed.