Crystal structure of p-formylphenyl, di(p-methylphenyl)amine, and p-bromophenyl, di(o-bromo-p-methylphenyl)amine

Article abstract of DOI:10.1023/A:1012258413674

p-Formylphenyl, di(p-methylphenyl)amine (1), and p-bromophenyl, di(o-bromo-p-methylphenyl)amine (2) were prepared and characterized by X-ray crystallography. Formyl-substituted triphenylamine(1) crystallizes in the monoclinic space group P2₁/c with a = 9.068(1), b = 17.115(2), c = 11.297(2) A, β = 106.73(1)°, V = 1679.0(5) A³ and Z =4. Bromo -substituted compound 2 crystallizes in the monoclinic space group P2₁/n with a = 16.170(4), b = 7.9477(8), c = 16.906(4) A, β = 117.67(2)°, V = 1924.1(7) A³ and Z = 4. The N atoms deviate slightly from the plane of the bonded C atoms and the benzene ring planes are rotated by 25-67° to avoid overlap of the ortho-substituted atoms. The major force of crystal formation comes from the multiple phenyl embraces (MPE).