4,5-Bis(furoylsulfanyl)-1,3-dithiole-2-thione.
The title compound, C13H6O4S5, possesses crystallographically imposed mirror symmetry, with the atoms of the C=S group lying on the mirror plane. It is an example of the general formula [RCO]2(dmit), where R is a furan ring and dmit is 2-thioxo-1,3-dithiole-4,5-dithiolate. The components exhibit some polarization of their molecular-electronic structure. The dmit and furan moieties exhibit a high degree of conjugation, as the introduction of C=O connecting the conjugated furan (donor) and dmit (acceptor) rings forms a good conjugated system with high delocalization. A polar three-dimensional framework is built from a combination of intermolecular contacts, namely SS interactions and C-HO hydrogen bonding. The structural characteristics lead to good second-order non-linear optical properties.
Wang
Xin-Qiang
XQ
State Key Laboratory of Crystal Materials, Institute of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China. xwang@icm.sdu.edu.cn
Yu
Wen-Tao
WT
Xu
Dong
D
Wang
Yan-Ling
YL
Li
Ting-Bin
TB
Guo
Wen-Feng
WF