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7-Bromo-2-(4-fluoro-phen-yl)-1-(methyl-sulfin-yl)naphtho[2,1-b]furan.

ABSTRACT: In the title compound, C(19)H(12)BrFO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the naphthofuran fragment. The 4-fluoro-phenyl ring is rotated out of the naphthofuran plane, making a dihedral angle of 41.65?(7)°. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?? inter-actions, and a short Br?F contact [3.046?(2)?Å] occurs. The O atom of the sulfinyl group is disordered over two positions, with refined site-occupancy factors of 0.912?(4) and 0.088?(4).

SUBMITTER: Choi HD

PROVIDER: S-EPMC2979164 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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7-Bromo-2-(4-fluoro-phen-yl)-1-(methyl-sulfin-yl)naphtho[2,1-b]furan.

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

Acta crystallographica. Section E, Structure reports online 20100402 Pt 5

In the title compound, C(19)H(12)BrFO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the naphthofuran fragment. The 4-fluoro-phenyl ring is rotated out of the naphthofuran plane, making a dihedral angle of 41.65 (7)°. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O and C-H⋯π inter-actions, and a short Br⋯F contact [3.046 (2) Å] occurs. The O atom of the sulfinyl group is disordered over two positions, with re ...[more]

PMID: 21579076

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