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Acta Crystallogr Sect E Struct Rep Online
X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.
Published: October 2013
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 meth-oxy substituent deviates slightly from the plane of its attached benzene ring [Cmeth-yl-O-C-C torsion angle = -11.6 (6)°]. In the crystal, the cations, anion and water mol-ecules are linked together into chains along [010] by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions. There is a short Br⋯O contact [3.029 (2) Å]. The crystal structure also features C-H⋯π inter-actions involving the benzene ring of the anion.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884297 | PMC |
http://dx.doi.org/10.1107/S1600536813027244 | DOI Listing |
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