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2-(4-Bromo-phen-yl)-5-fluoro-3-methyl-sulfinyl-1-benzofuran.


ABSTRACT: In the title compound, C(15)H(10)BrFO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-bromo-phenyl ring is rotated out of the benzofuran plane [dihedral angle = 38.98?(8)°], while the structure is stabilized by an inter-molecular C-H?O hydrogen bond and a Br?O halogen bond [3.036?(2)?Å] and has an inter-molecular C-H?? inter-action between the 4-bromo-phenyl H atom and the benzene ring of an adjacent benzofuran mol-ecule, as well as aromatic ?-? inter-actions between the benzene rings of the benzofuran systems [centroid-centroid distance = 3.482?(3)?Å].

SUBMITTER: Choi HD 

PROVIDER: S-EPMC2970042 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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2-(4-Bromo-phen-yl)-5-fluoro-3-methyl-sulfinyl-1-benzofuran.

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

Acta crystallographica. Section E, Structure reports online 20090808 Pt 9


In the title compound, C(15)H(10)BrFO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-bromo-phenyl ring is rotated out of the benzofuran plane [dihedral angle = 38.98 (8)°], while the structure is stabilized by an inter-molecular C-H⋯O hydrogen bond and a Br⋯O halogen bond [3.036 (2) Å] and has an inter-molecular C-H⋯π inter-action between the 4-bromo-phenyl H atom and the benzene ring of an adjacen  ...[more]

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