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2-(4-Fluoro-phen-yl)-3-methyl-sulfinyl-5-phenyl-1-benzofuran.

ABSTRACT: In the title mol-ecule, C(21)H(15)FO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent are situated on the opposite sides of the plane through the benzofuran fragment. The benzofuran ring plane makes dihedral angles of 28.63?(6) and 31.55?(5)° with the 4-fluoro-phenyl and phenyl rings, respectively. Weak C-H?F and C-H?O hydrogen bonds and inter-molecular C-H?? inter-actions are present in the crystal structure. The title crystal was refined as an inversion twin with a 0.39?(7):0.61?(7) domain ratio.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2979132 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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2-(4-Fluoro-phen-yl)-3-methyl-sulfinyl-5-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 20100424 Pt 5

In the title mol-ecule, C(21)H(15)FO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent are situated on the opposite sides of the plane through the benzofuran fragment. The benzofuran ring plane makes dihedral angles of 28.63 (6) and 31.55 (5)° with the 4-fluoro-phenyl and phenyl rings, respectively. Weak C-H⋯F and C-H⋯O hydrogen bonds and inter-molecular C-H⋯π inter-actions are present in the crystal structure. The title crystal was refined as an inversion twin with a 0.39 ...[more]

PMID: 21579209

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