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5-Bromo-2-methyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzofuran.

ABSTRACT: In the title compound, C(16)H(13)BrO(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 87.83 (6)° with the mean plane [mean deviation = 0.007 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and Br⋯O contacts [3.099 (2) Å]. The crystal structure also exhibits π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.637 (2) Å, inter-planar distance = 3.317 (2) Å and slippage = 1.492 (2) Å].

SUBMITTER: Choi HD 

PROVIDER: S-EPMC3344444 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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5-Bromo-2-methyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzofuran.

Choi Hong Dae HD   Seo Pil Ja PJ   Lee Uk U  

Acta crystallographica. Section E, Structure reports online 20120404 Pt 5

In the title compound, C(16)H(13)BrO(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 87.83 (6)° with the mean plane [mean deviation = 0.007 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and Br⋯O contacts [3.099 (2) Å]. The crystal structure also exhibits π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.637 (2) Å, inter-planar distance = 3.317 (2) Å and slippage = 1.492   ...[more]

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