A. Saeed, J. Simpson
Mar 19, 2012
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Abstract
The title compound (3) was prepared from 4-chloroaniline in good yield on successive oxidation and methylation and its crystal and molecular structure is reported. The compound crystallizes in the monoclinic space group P 21/n with unit cell dimensions a = 13.5698(8), b = 3.7195 (3), c = 13.5967 (8) A, s = 91.703(3) ° , V = 685.96 (10) A 3 . The molecule is essentially planar with a dihedral angle of 6.2(3) ° between the nitro group and the phenyl ring. The crystal structure is stabilised by π...π contacts between adjacent benzene rings together with C-H...O hydrogen bonds and close Cl...O contacts.