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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...

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Detalles Bibliográficos
Autores principales: Choi, Hong Dae, Seo, Pil Ja, Son, Byeng Wha, Lee, Uk
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
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
Descripción
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.