Abstract
In the title compound, C16H18NO+·C6H4BrO3S−·0.5CH3OH, the cation exists in the E configuration and the whole molecule of the cation, except for the O atom of the ethoxy group, is disordered with a site-occupancy ratio of 0.695 (5):0.305 (5). The cation is disordered in such a way that the ethenyl units of the major and minor components are related by 180° around the long molecular axis. In the major component, the cation is almost planar, the dihedral angle between the pyridinium and benzene rings being 0.8 (3)°, whereas in the minor component, the dihedral angle between the two aromatic rings is 4.2 (6)°. In the crystal, the cations are stacked in an antiparallel manner along the a axis, while the anions and methanol molecules are linked through O—H⋯O hydrogen bonds and Br⋯O short contacts [3.0248 (13) Å] into a tape along the same direction. The three components are further linked by weak C—H⋯O, C—H⋯Br and C—H⋯π interactions.
Highlights
Acta Crystallographica Section E the stability of the temperature controller used in the data collection, see: Cosier & Glazer (1986)
C16H18NO+C6H4BrO3S0.5CH3OH, the cation exists in the E configuration and the whole molecule of the cation, except for the O atom of the ethoxy group, is disordered with a site-occupancy ratio of 0.695 (5):0.305 (5)
The cation is disordered in such a way that the ethenyl units of the major and minor components are related by 180 around the long molecular axis
Summary
(E)-4-[2-(4-Ethoxyphenyl)ethenyl]-1methylpyridinium 4-bromobenzenesulfonate methanol hemisolvate1 USM, Penang, Malaysia, and bCrystal Materials Research Unit, Department of Chemistry, Faculty of Science, Prince of Songkla University, Hat-Yai, Songkhla Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.003 Å; disorder in main residue; R factor = 0.033; wR factor = 0.086; data-to-parameter ratio = 17.6.
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