1. 4,5-Bis(furoylsulfanyl)-1,3-dithiole-2-thione.
- Author
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Xin-Qiang Wang, Wen-Tao Yu, Dong Xu, Yan-Ling Wang, Ting-Bin Li, and Wen-Feng Guo
- Subjects
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ORGANIC compounds , *CRYSTALLOGRAPHY , *MOLECULAR structure , *HYDROGEN bonding , *CARBON compounds , *ORGANIC chemistry - Abstract
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 S⋯S interactions and C—H⋯O hydrogen bonding. The structural characteristics lead to good second-order non-linear optical properties. [ABSTRACT FROM AUTHOR]
- Published
- 2005
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