(IUCr) Crystallography Journals Online

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Acta Cryst. (2009). E65, o266 [ doi:10.1107/S1600536809000208 ]

Butyl 2-(5-iodo-3-methylsulfinyl-1-benzofuran-2-yl)acetate

H. D. Choi, P. J. Seo, B. W. Son and U. Lee

Abstract: In the title compound, C₁₅H₁₇IO₄S, 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 [pi] interactions between a methyl H atom of the methylsulfinyl group and the benzene ring of the benzofuran system, and by an IO halogen bond of 3.173 (3) Å and a nearly linear C-IO angle of 171.7 (1)°. In addition, the crystal structure exhibits weak intermolecular C-HO 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).

Online 8 January 2009