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Title: Synthesis and crystal structure of S,S '-bis(8-quinolyl)-1,8-dithiaoctane
Authors: Chen, CL
Su, CY
Cai, YP
Liu, J
Zhou, ZY
Chan, ASC
Kang, BS
Keywords: S,S '-bis(8-quinolyl)-1,8-dithiaoctane
Intermolecular C-H center dot center dot center dot pi interaction
Crystal structure
Issue Date: 2003
Publisher: 中國學術期刊(光盤版)電子雜誌社
Source: 结构化学 (Chinese journal of structural chemistry), 2003, v. 22, no. 1, p. 21-24 How to cite?
Journal: 结构化学 (Chinese journal of structural chemistry) 
Abstract: The title compound S,S'-bis(8-quinolyl)-1,8-dithiaoctane crystallizes in the monoclinic system, space group P2(1)/n with a = 7.537(1), b = 20.434(3), c = 13.857(2) Angstrom, beta = 97.102(3)degrees, V = 2117.8(5) Angstrom(3), D-c = 1.269 g/cm(3), Z = 4, C24H24N2S2, M-r= 404.57, mu(MoKalpha) = 0.263 mm(-1) and F(000) = 856, and its structure was refined to R = 0.0417 and wR = 0.1077 for 2814 observed reflections (I > 2sigma(I)). The compound crystallizes in conformations A and B with equal occupation ratio. A acts as both a donor and acceptor in the C-H(...)pi interactions, but B only acts as a donor. Edge-to-face C-H(...)pi interactions between AA along the a axis and BABA along the c axis result in an infinite layered-structure in the ac plane.
ISSN: 0254-5861
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