Crystal structure of p-formylphenyl, di(p-methylphenyl)amine, and p-bromophenyl, di(o-bromo-p-methylphenyl)amine
Authors: Xue, M.; Liu, Y.; Huang, D.; Gong, B.
Source: Journal of Chemical Crystallography, Volume 30, Number 11, November 2000 , pp. 749-753(5)
Abstract: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 P2_1/c with a = 9.068(1), b = 17.115(2), c = 11.297(2) Å, = 106.73(1)°, V = 1679.0(5) Å^3 and Z = 4. Bromo-substituted compound 2 crystallizes in the monoclinic space group P2_1/n with a = 16.170(4), b = 7.9477(8), c = 16.906(4) Å, = 117.67(2)°, V = 1924.1(7) Å^3 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).
Document Type: Regular Paper
Affiliations: School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, Shanghai 200240, P. R. China
Publication date: 2000-11-01