Structure of 4,4 '-butane-(1,4,7-three-p-tolylsulphonyl-1,4,7-three amine) diphthalonitrile

Abstract

The crystal structure of the title compound, C41H35 N7O6S3 was determined as monoclinic by single crystal X-Ray diffraction technique. The molecular structure was identified by IR, H-1-NMR, C-13-NMR and elemental analysis. The crystal parameters of this compound are as follows: monoclinic P 2 1/n, a = 12.694(2)Angstrom, b = 26.204(2)Angstrom, c = 13.005(2)Angstrom, beta = 102.95(2)degrees, V = 4216.02(1) Angstrom(3), Z = 4, Dx = 1.289 g/cm(3), F(000) = 1704, lambda (MoK alpha) = 0.71070 Angstrom, mu = 0.2 mm(-1). The structure was solved by SHELXS-97 and refined by SHELXL-97. R = 0.06 for 3178 observed reflections with I > 2 sigma(I).