The mol-ecule of the title compound, C(18)H(10)Br(2)S(4), has a C-shape, with C (s) mol-ecular symmetry. The dihedral angle between the planes of the di-thiol and phenyl rings is 8.35â (9)°. In the crystal, mol-ecules form helical chains along [001], the shortest inter-actions being Ïâ¯S contacts within the helices. The inter-molecular inter-actions were investigated by Hirshfeld surface analysis. Density functional theory (DFT) was used to calculate HOMO-LUMO energy levels of the title compound and its trans isomer.
Crystal structure of 4,4'-bis-(4-bromo-phen-yl)-1,1',3,3'-tetra-thia-fulvalene.
阅读:3
作者:Rigin Sergei, Fonari Marina
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2019 | 起止号: | 2019 Jul 16; 75(Pt 8):1195-1198 |
| doi: | 10.1107/S2056989019009952 | ||
特别声明
1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。
2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。
3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。
4、投稿及合作请联系:info@biocloudy.com。
