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

Date Published: March 01, 2012

Publisher: International Union of Crystallography

Author(s): Hoong-Kun Fun, Suchada Chantrapromma, Pumsak Ruanwas, Teerasak Anantapong, Nawong Boonnak.


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—H⋯O hydrogen bonds and weak C—H⋯O inter­actions into chains along the b axis. π–π inter­actions with centroid–centroid distances in the range 3.5557 (16)–3.6876 (16) Å are observed. C—H⋯π inter­actions and a C⋯O short contact [2.94 (4) Å] are also observed.

Partial Text

For bond-length data, see: Allen et al. (1987 ▶). For background to, and applications of, hy­droxy­lated stilbenes, see: Elmali et al. (2006 ▶); Kimura (2005 ▶); Ko et al. (1999 ▶); Nitta et al. (2002 ▶); Olas & Wachowicz (2002 ▶); Park et al. (2008 ▶); Roupe et al. (2006 ▶); Son et al. (2007 ▶). For related structures, see: Chanawanno et al. (2010 ▶); Fun et al. (2011 ▶); Mueangkeaw et al. (2010 ▶). For the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986 ▶).