Synthesis and crystal structure of 3-ammonium-4-hydroxyphenyl sulfonate hemihydrate

The crystal structure of 3-ammonium-4-hydroxyphenyl sulfonate hemihydrate C₆H₃(NH₃)(OH)SO₃ · 0.5H₂O is determined by single-crystal X-ray diffraction. The unit cell parameters are as follows: a = 11.2395(3), b = 10.3814(3), c = 13.7509(4) Å, β = 100.326(1)°, V = 1578.49(8) ų, space group P2₁/n, Z = 4. The crystal structure can be described us a succession of infinite corrugated layers parallel to ab plane. These layers consist of rings formed by four sulfonate molecules located around a center of symmetry. The rings are connected to each other and to water molecules via O-H...O hydrogen bonds. The structure is further stabilized by π-π interactions between phenyl rings of organic entities of successive layers.