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

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.

Project description:In the title compound, C(22)H(24)O(3)S, the cyclo-hexyl ring adopts a chair conformation. The 4-methyl-phenyl ring makes a dihedral angle of 80.95?(4)° with the mean plane [mean deviation = 0.011?(1)?Å] 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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3-(4-Bromo-phenyl-sulfon-yl)-5-cyclo-hexyl-2-methyl-1-benzofuran.

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

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

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5-Fluoro-3-(4-fluoro-phenyl-sulfon-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)F(2)O(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 73.20?(4)° with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.805?(3)?Å]. The crystal structure also exhibits weak inter-molecular C-H?O and C-H?F inter-actions.

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

Project description:In the title compound, C(15)H(10)F(2)O(3)S, the 3-fluoro-phenyl ring makes a dihedral angle of 79.51 (6)° with the mean plane [r.m.s. deviation = 0.006 (2) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯F and C-H⋯O hydrogen bonds. The crystal structure also exhibits slipped π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distances = 3.563 (3) and 3.820 (3) Å and slippages of 0.358 (3)and 1.551 (3) Å]. In the 3-fluoro-phenyl ring, the F atom is disordered over two positions with site-occupancy factors of 0.887 (3) and 0.113 (3).

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

Project description:In the title compound, C(16)H(13)FO(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 76.04?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, and by a slipped ?-? inter-action between the furan and benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.780?(2)?Å, inter-planar distance = 3.475?(2)?Å and slippage = 1.488?(2)?Å].

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

Project description:In the title compound, C(22)H(24)O(2)S, the cyclo-hexyl ring adopts a chair conformation. The 4-methyl-phenyl ring makes a dihedral angle of 81.60 (5)° with the mean plane [r.m.s. deviation = 0.004 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and weak π-π inter-actions between the furan rings of adjacent mol-ecules [centroid-centroid distance = 3.545 (2) Å, inter-planar distance = 3.489 (2) Å and slippage = 0.628 (2) Å.

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Project description:In the title mol-ecule, C(17)H(15)FO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 74.06?(4)° with the mean plane of the benzofuran fragment. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H?O and C-H?? inter-actions. The crystal structure also exhibits aromatic ?-? inter-actions between the benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.629?(2)?Å].

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