The refinement of the crystal structure of the pyrene–tetracyanoethylene complex

Crystals of the 1:1 complex of pyrene and tetracyanoethylene (TCNE) are monoclinic, space group P21/a with a=14-333, b=7.242, e=7.978 A, p=92-36 °, Z=2. The structure was refined by threedimensional analysis by the block-diagonal least-squares method. Pyrene and TCNE molecules are stacked alternately along the c axis direction, making their molecular planes almost parallel to each other. The mean separation of the molecular planes is 3.323/~.