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)

被引:6
|
作者
THORUP, N [1 ]
HJORTH, M [1 ]
CHRISTENSEN, JB [1 ]
BECHGAARD, K [1 ]
机构
[1] UNIV COPENHAGEN,CTR INTERDISCIPLINARY STUDIES MOLEC INTERACT,DK-2100 COPENHAGEN,DENMARK
关键词
D O I
10.1107/S0108270191010284
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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).
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页码:530 / 533
页数:4
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