STRUCTURE OF BIS(BUTYLENEDITHIO)TETRATHIAFULVALENE - AN ORGANIC PI-DONOR MOLECULE

摘要

2,2'-Bi(5,6,7,8-tetrahydro-1,3-dithiolo-[4,5-b][1,4]dithiocinylidene) (BBDT-TTF), C14H16S8, M(r) = 440.75, m.p. = 424 K, monoclinic, P2(1)/c, a = 5.233 (1), b = 14.274 (4), c = 13.430 (3) angstrom, beta = 109.44 (2)-degrees, V = 944.10 angstrom 3, Z = 2, D(x) = 1.551 Mg m-3, lambda(Mo K-alpha) = 0.7107 angstrom, mu(Mo K-alpha) = 0.857 mm-1, F(000) = 456, T = 288 K, final R = 0.0403, wR = 0.0400 for 132 parameters and 2167 observed reflections. The C6S8 backbone of the BBDT-TTF molecule is planar and stacked along the a axis. Three intermolecular S...S distances [S2...S2i = 3.686 (1), S1...S4ii = 3.668 (1) and S3...S4iii = 3.705 (1) angstrom; (i) 2 - x, 1 - y, -z; (ii) -1 + x, y, z; (iii) -1 + x, 3/2 - y, -1/2 + z] are close to the sum of the van der Waals radii of sulfur. In the crystal, the molecules are arranged in pairs.