Structure of 4,4’-Butane Amine) Diphthalonitrile

Abstract

The crystal structure of the title compound, C<inf>41</inf>H<inf>35</inf>N<inf>7</inf>O<inf>6</inf>S<inf>3</inf> was determined as monoclinic by single crystal X-Ray diffraction technique. The molecular structure was identified by IR, 1H-NMR, 13C-NMR and elemental analysis. The crystal parameters of this compound are as follows: monoclinic P 2 1/n, a = 12.694(2)Å, b = 26.204(2)Å, c = 13.005(2)Å, β = 102.95(2)°, V = 4216.02(1) Å3, Z = 4, Dx = 1.289 g/cm3, F(000) = 1704, λ (MoKα) = 0.71070 Å, μ = 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 > 2σ (I).