Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 12 (December 2013)

organic compounds

Acta Cryst. (2013). E69, o1851-o1852    [ doi:10.1107/S1600536813031917 ]

2-[(E)-2-(4-Hy­droxy-3-meth­oxy­phen­yl)ethen­yl]-1-methylpyridinium 4-bromo­benzene­sulfonate monohydrate

S. Chantrapromma, N. Boonnak, B. Jindawong and H.-K. Fun

Abstract: The title salt crystallized as the monohydrate C15H16NO2+·C6H4BrSO3-·H2O. The cation exists in an E conformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hy­droxy and meth­oxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmeth­yl-O-C-C torsion angle = -0.8 (4)°]. In the crystal, the cations and anions are stacked by [pi]-[pi] inter­actions, with centroid-centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water mol­ecules are linked by O-H...O hydrogen bonds and weak C-H...O inter­actions, forming a three-dimensional network.

CCDC reference: 293059

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