Crystal Structure of Sodium Guaiazulene Sulfonate Hemihydrate

Abstract

The crystal structure of sodium guaiazulene sulfonate hemihydrate was determined by X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P2₁/c with four molecules per unit cell. The cell parameters are a = 23.271(4)Å, b = 7.1965(12)Å, c = 8.8334(15)Å, β = 93.178(3)°, V = 1477.0(4)ų. The structure was refined to the final R1 = 0.092. It reveals that the compound has the layer structure, stacked with hydrophobic interactions at one side and Coulomb interactions at the other side.