Synthesis and Crystal Structure of 2-[(E)-2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium 4-methylbenzenesulfonate monohydrate

Abstract

The structure of the title compound, C₁₆H₁₈ON⁺·C₇H₇SO₃^-·H₂O, was synthesized and structurally characterized by singlecrystal X-ray diffraction. The crystal belongs to a monoclinic system with the P2₁/c space group and cell parameters a = 9.7518(6), b = 6.4980(4), c = 34.6812(19)Å, β = 104.710(4)°, Z = 4, V = 2125.6(2)ų and D_cal = 1.342 g cm^-3. In the molecular structure, the cation is slightly twisted, and exists in an E configuration. The anion is inclined to the cation with dihedral angles between the benzene ring of the anion and pyridinium and benzene rings of the cation being 89.1(3) and 83.8(3)°, respectively. In the crystal packing, the cations and anions are individually arranged alternatively into chains along the c-axis, with the cation chains being stacked along the b-axis. The cations, anions and water molecules are interconnected into a 3D network by O-H…O hydrogen bonds and weak C-H…O interactions.