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5-Cyclo-hexyl-3-(2-fluoro-phenyl-sulfon-yl)-2-methyl-1-benzo-furan.

ABSTRACT: In the title compound, C21H21FO3S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzo-furan ring system and the fluoro-phenyl ring is 87.61?(3)°. In the crystal, mol-ecules related by inversion are linked into dimers via pairs of C-H?? inter-actions. These dimers are further linked by ?-? inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.407?(2)?Å and between the 2-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.742?(2)?Å], resulting in a three-dimensional supra-molecular network.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3998567 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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5-Cyclo-hexyl-3-(2-fluoro-phenyl-sulfon-yl)-2-methyl-1-benzo-furan.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20140322 Pt 4

In the title compound, C21H21FO3S, the cyclo-hexyl ring adopts a chair conformation. The dihedral angle between the mean planes of the benzo-furan ring system and the fluoro-phenyl ring is 87.61 (3)°. In the crystal, mol-ecules related by inversion are linked into dimers via pairs of C-H⋯π inter-actions. These dimers are further linked by π-π inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.407 (2) Å and between the 2-fluoro-phenyl rings of neighbo ...[more]

PMID: 24826165

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