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

ABSTRACT: In the title compound, C(21)H(21)FO(3)S, the cyclo-hexyl ring adopts a chair conformation. The 3-fluoro-phenyl ring makes a dihedral angle of 79.15?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3089263 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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

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

Acta crystallographica. Section E, Structure reports online 20110407 Pt 5

In the title compound, C(21)H(21)FO(3)S, the cyclo-hexyl ring adopts a chair conformation. The 3-fluoro-phenyl ring makes a dihedral angle of 79.15 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. ...[more]

PMID: 21754380

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Project description:In the title compound, C(21)H(21)FO(3)S, the cyclo-hexyl ring adopts a chair conformation. The 4-fluoro-phenyl ring makes a dihedral angle of 77.71?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through inter-molecular C-H?O hydrogen bonds and aromatic ?-? inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.578?(2)?Å].

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5-Cyclo-hexyl-2-methyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

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Project description:In the title compound, C(21)H(21)BrO(3)S, the cyclo-hexyl ring adopts a chair conformation. The 4-bromo-phenyl ring makes a dihedral angle of 80.88?(6)° with the mean plane of the benzofuran fragment. An intra-molecular C-H?O hydrogen bond is formed between an O atom of the sulfonyl group and one H atom of the aromatic ring such that a five-membered ring is formed. The crystal packing is stabilized by an inter-molecular C-H?O hydrogen bond, which links the mol-ecules into chains with graph-set notation C(6) running parallel to the c axis, and ?-? stacking inter-actions [centroid-centroid distance = 3.6129?(12)?Å].

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Project description:In the title compound, C(17)H(15)FO(3)S, the 2-fluoro-phenyl ring makes a dihedral angle of 89.12?(8)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions.

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