X-ray crystal structure of C.I. Disperse Yellow 86

In conjunction with studies pertaining to the design of lightfast dyes for PET, the X-ray crystal structure of C.I. Disperse Yellow 86 has been solved to R=0.067 using 1999 independent reflections of MoKalpha radiation, collected by the omega-scan method at a variable speed. Results showed that C.I. Disperse Yellow 86 is non-planar, with a dihedral angle of 35.3° between the phenyl rings. In addition, the ortho-nitroanilino moiety of this dye is planar, due to a hydrogen bond between the nitro group and the adjacent amino hydrogen atom.