STRUCTURE OF A CHARGE-TRANSFER COMPLEX OF 3,8-DIETHYL-5,10-DIMETHYL-1,6-DIOXAPYRENE (DEDMDOP) WITH 7,7,8,8-TETRACYANO-P-QUINODIMETHANE (TCNQ)

C20H20O2.C12H4N4, M(r) = 496.57, orthorhombic, Pmnn, a = 6.749 (1), b = 9.699 (2), c = 19.204 (1) angstrom, V = 1257.1 (3) angstrom 3, Z = 2, D(x) = 1.312, D(m) = 1.291 g cm-3, lambda(Mo K-alpha) = 0.71073 angstrom, mu = 0.781 cm-1, F(000) = 520, T = 294 K, R = 0.062 for 765 observed reflections. The structure is composed of stacks along the a axis of alternating DEDMDOP and TCNQ molecules positioned in mirror planes and regularly spaced by 1/2a = 3.37 angstrom. This mixed-stacking arrangement is consistent with the observed low electrical conductivity (sigma = 3 x 10(-6) S m-1).