The Crystal Structure of the 1 : 1 Complex of Naphthalene with 1, 2, 4, 5-Tetracyanobenzene

Abstract

The crystal of the equimolar complex between 1, 2, 4, 5-tetracyanobenzene and naphthalene is monoclinic, with space group C2/m, a=9.39, b=12.66, c=6.87 Å, β=107.2 ° and Z=2. The structure was deduced from the hk0 weighted reciprocal lattice and a packing consideration, and refined by the three-dimensional difference synthesis and the block-diagonal least-squares method. The constituent molecules are approximately planar and overlap each other with an average interplanar spacing of 3.43 Å. They are stacked alternately in infinite columns along the c axis. The structure is disordered, with the naphthalene molecules adopting one of alternative orientations with equal probability. The determined structure is consistent with the electronic spectra of the cyrstal.