The Crystal Structure of the 1 : 1 Complex of 1,2,4,5-Tetracyanobenzene and Hexamethylbenzene

Abstract
The crystal structure of the 1 : 1 complex formed between hexamethylbenzene and 1,2,4,5-tetracyanobenzene has been determined by X-rays. The crystal is monoclinic, with two formula units of the complex in a cell of dimensions ; a=15.07, b=8.92, c=7.41 Å and β=104.9°. The space group is P21n. The structure was deduced from a three-dimensional Patterson synthesis, and refined by block-diagonal least-squares method. The constituent molecules are stacked alternately in infinite columns along the c-axis. The relative configuration of the donor and acceptor molecules is consistent with the theoretical calculation.