Crystal Structure of o-Sulfophenylfluorone as a Bioquantification Probe

Abstract

The crystal structure of o-sulfophenylfluorone (SPF) was determined by X-ray diffraction. This compound crystallizes in monoclinic, space P2₁/c with a = 10.5722(6), b = 15.6153(9), c = 17.216(1)Å, β = 91.420(1)°, V = 2841.2(3)ų, Z = 4. The final R value is 0.046 for 5242 reflections (I > 2σ(I)). The structure takes a dihedral formation consisting of xanthene and benzene sulfonic rings and tautomers exist with a zwitterionic character.