1-Methyl-4-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyridinium 4-bromobenzenesulfonate monohydrate

• Main Authors: Suchada Chantrapromma, Pumsak Ruanwas, Boonwasana Jindawong, Hoong-Kun Fun
• Format: Article
• Language: English
• Published: International Union of Crystallography 2013-11-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536813027244

In the title hydrated salt, C15H16NO2+·C6H4BrO3S−·H2O, the cation exists in an E conformation with respect to the ethenyl bond and is almost planar, with a dihedral angle of 2.62 (12)° between the planes of the pyridinium and benzene rings. The methoxy substituent deviates slightly from the plane of its attached benzene ring [Cmethyl—O—C—C torsion angle = −11.6 (6)°]. In the crystal, the cations, anion and water molecules are linked together into chains along [010] by O—H...O hydrogen bonds and weak C—H...O interactions. There is a short Br...O contact [3.029 (2) Å]. The crystal structure also features C—H...π interactions involving the benzene ring of the anion.