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5-Bromo-3-ethyl-sulfinyl-2-(4-fluoro-phenyl)-1-benzofuran.

ABSTRACT: In the title compound, C(16)H(12)BrFO(2)S, the 4-fluoro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 5.94?(5)°. The crystal structure exhibits aromatic ?-? inter-actions between the benzene ring and the 4-fluoro-phenyl ring of an adjacent mol-ecule [centroid-centroid distance = 3.632?(2)?Å], and a Br?O halogen bond with a Br?O distance of 3.101?(1)?Å.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2979841 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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5-Bromo-3-ethyl-sulfinyl-2-(4-fluoro-phenyl)-1-benzofuran.

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

Acta crystallographica. Section E, Structure reports online 20100109 Pt 2

In the title compound, C(16)H(12)BrFO(2)S, the 4-fluoro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 5.94 (5)°. The crystal structure exhibits aromatic π-π inter-actions between the benzene ring and the 4-fluoro-phenyl ring of an adjacent mol-ecule [centroid-centroid distance = 3.632 (2) Å], and a Br⋯O halogen bond with a Br⋯O distance of 3.101 (1) Å. ...[more]

PMID: 21579753

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