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5-Fluoro-2-methyl-3-(3-methyl-phenyl-sulfon-yl)-1-benzo-furan.

ABSTRACT: In the title compound, C16H13FO3S, the dihedral angle between the mean planes of the benzo-furan ring system and the 3-methyl-phenyl ring is 80.96?(4)°. In the crystal, mol-ecules are linked via pairs of ?-? inter-actions between furan and benzene rings, with centroid-centroid distances of 3.758?(1) and 3.771?(1)?Å. A similar inter-action is found between furan rings, with a centroid-centroid distance of 3.661?(1)?Å between neighbouring mol-ecules. The mol-ecules stack along the a-axis direction. In addition, C-H?O and C-H?? hydrogen bonds are observed between inversion-related dimers.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3998627 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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5-Fluoro-2-methyl-3-(3-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20140326 Pt 4

In the title compound, C16H13FO3S, the dihedral angle between the mean planes of the benzo-furan ring system and the 3-methyl-phenyl ring is 80.96 (4)°. In the crystal, mol-ecules are linked via pairs of π-π inter-actions between furan and benzene rings, with centroid-centroid distances of 3.758 (1) and 3.771 (1) Å. A similar inter-action is found between furan rings, with a centroid-centroid distance of 3.661 (1) Å between neighbouring mol-ecules. The mol-ecules stack along the a-axis direction ...[more]

PMID: 24826176

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