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5-Bromo-2,7-dimethyl-3-methyl-sulfinyl-1-benzofuran.

ABSTRACT: In the title compound, C(11)H(11)BrO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent are located on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by non-classical inter-molecular C-H?O hydrogen bonding, and by inter-molecular C-Br?? inter-actions, with C-Br?Cg = 3.629?Å (Cg is the centroid of the benzene ring). In addition, the crystal structure exhibits aromatic ?-? interactions between the furan rings of neighbouring molecules [centroid-centroid distance = 4.206?(6)?Å].

SUBMITTER: Seo PJ

PROVIDER: S-EPMC2970146 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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5-Bromo-2,7-dimethyl-3-methyl-sulfinyl-1-benzofuran.

Seo Pil Ja PJ Choi Hong Dae HD Son Byeng Wha BW Lee Uk U

Acta crystallographica. Section E, Structure reports online 20090829 Pt 9

In the title compound, C(11)H(11)BrO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent are located on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by non-classical inter-molecular C-H⋯O hydrogen bonding, and by inter-molecular C-Br⋯π inter-actions, with C-Br⋯Cg = 3.629 Å (Cg is the centroid of the benzene ring). In addition, the crystal structure exhibits aromatic π-π interactions between the furan rings of neighbouring molecul ...[more]

PMID: 21577691

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