In the title compound, C(12)H(13)BrO(2)S, there are two symmetry-independent mol-ecules, A and B, in the asymmetric unit. The crystal studied was an inversion twin with a 0.70â (2):0.30â (2) domain ratio. The methyl-sulfinyl group in mol-ecule B is disordered over two positions with site-occupancy factors fixed at 0.6 and 0.4. The crystal structure is stabilized by C-Hâ¯O hydrogen bonds and inter-molecular C-Hâ¯Ï inter-actions. In addition, the crystal structure exhibits C-Brâ¯Ï inter-actions, with C-Brâ¯Cg1 = 3.646â (8)â à where Cg1 is the centroid of the furan ring.
5-Bromo-2,4,6-trimethyl-3-methyl-sulfinyl-1-benzofuran.
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作者:Choi Hong Dae, Seo Pil Ja, Son Byeng Wha, Lee Uk
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2008 | 起止号: | 2008 Oct 15; 64(Pt 11):o2117 |
| doi: | 10.1107/S1600536808032467 | ||
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