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5-Bromo-2,4,6-trimethyl-3-methylsulfinyl-1-benzofuran
In the title compound, C(12)H(13)BrO(2)S, there are two symmetry-independent molecules, A and B, in the asymmetric unit. The crystal studied was an inversion twin with a 0.70 (2):0.30 (2) domain ratio. The methylsulfinyl group in molecule B is disordered over two positions with site-occupancy fac...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959644/ https://www.ncbi.nlm.nih.gov/pubmed/21580980 http://dx.doi.org/10.1107/S1600536808032467 |
Sumario: | In the title compound, C(12)H(13)BrO(2)S, there are two symmetry-independent molecules, A and B, in the asymmetric unit. The crystal studied was an inversion twin with a 0.70 (2):0.30 (2) domain ratio. The methylsulfinyl group in molecule B is disordered over two positions with site-occupancy factors fixed at 0.6 and 0.4. The crystal structure is stabilized by C—H⋯O hydrogen bonds and intermolecular C—H⋯π interactions. In addition, the crystal structure exhibits C—Br⋯π interactions, with C—Br⋯Cg1 = 3.646 (8) Å where Cg1 is the centroid of the furan ring. |
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