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Butyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate
In the title compound, C(15)H(17)IO(4)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by weak intermolecular C—H⋯π interactions between a methyl H atom of the methylsulfinyl gr...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968330/ https://www.ncbi.nlm.nih.gov/pubmed/21581881 http://dx.doi.org/10.1107/S1600536809000208 |
Sumario: | In the title compound, C(15)H(17)IO(4)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by weak intermolecular C—H⋯π interactions between a methyl H atom of the methylsulfinyl group and the benzene ring of the benzofuran system, and by an I⋯O halogen bond of 3.173 (3) Å and a nearly linear C—I⋯O angle of 171.7 (1)°. In addition, the crystal structure exhibits weak intermolecular C—H⋯O hydrogen bonds. The O atom of the carbonyl group and the butyl chain are both disordered over two positions with site-occupancy factors from refinement of 0.55 (4) and 0.45 (4) (for the O atom), and 0.76 (2) and 0.24 (2) (for the butyl group). |
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