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International Union of Crystallography, Acta Crystallographica Section E: Structure Reports Online, 11(69), p. o1623-o1624, 2013

DOI: 10.1107/s1600536813027244

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

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

In the title hydrated salt, C15H16NO2+·C6H4BrO3S·H2O, the cation exists in anEconformation 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.