Synthesis and Crystal Structure of (3-NH₃CH₂C₅H₄NH)SO₄·H₂O

Abstract

The title compound crystallizes in the monoclinic space group P2₁/c, with cell parameters a = 6.493(5), b = 11.560(6), c = 13.384(8)Å, β = 118.19(5)°, V = 885.4(10)ų and Z = 4. Its crystal structure was determined and refined to a final R = 0.073 (R_w = 0.209) for 2534 independent reflections. In the crystal, the 3-ammoniomethyl pyridinium cations are anchored between clusters formed by sulfate anions and water molecules via N-H…O hydrogen bonds to build an infinite layer parallel to the bc plane at x = 1/2. Crystal cohesion and stability are supported by electrostatic and π-π interactions which, together with hydrogen bonds, build up a three-dimensional network.