Packing behavior of benzoylterryleneimide in the solid state

The packing behavior of benzoylterryleneimide was determined by X-ray powde r and electron diffraction. The latter was applied to a material solidified from a solution after spreading it onto a water surface. By this procedure various nonequilibrium structures were prepared: crystalline lamellae are embedded in a structure of lower order, the texture of which looks similar to a texture seen in rigid liquid-crystalline polymers. The transition betw een both regimes is gradual. X-ray diffraction was applied to an annealed c rystalline powder. The crystalline packing of the dark-blue compound can be described by a monoclinic unit cell with lattice parameters a = 11.25 Angs trom b = 10.93 Angstrom, c = 27.78 Angstrom, beta = 91.0 degrees, rho = 1.3 8 g/cm(3) and Z = 4 at ambient temperature. In order to enable optimum spac e-filling, the molecules are arranged parallel two by two with the planes o f the aromatic ring systems 3.47 Angstrom apart in centrosymmetrical relati on and shifted longitudinally so that the diisopropylphenyl group of one mo lecule fits into the cavity at the carbonyl oxygen of the adjacent molecule .