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2-(4-Fluoro-phen-yl)-5-iodo-7-methyl-3-phenyl-sulfinyl-1-benzo-furan.

ABSTRACT: In the title compound, C21H14FIO2S, the dihedral angles between the mean plane [r.m.s. deviation = 0.007 (1) Å] of the benzo-furan fragment and the pendant 4-fluoro-phenyl and phenyl rings are 3.66 (7) and 82.37 (6)°, respectively. In the crystal, mol-ecules are linked by pairs of C-H⋯I hydrogen bonds into centrosymmetric dimers, which are further packed into stacks along the b axis by C-H⋯O hydrogen bonds. In addition, the stacked mol-ecules exhibit inversion-related S⋯O contacts [2.9627 (14) Å] involving the sulfinyl groups.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3684910 | biostudies-literature |

REPOSITORIES: biostudies-literature

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5-Fluoro-2-(4-fluoro-phen-yl)-7-methyl-3-phenyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C21H14F2O2S, the dihedral angles between the mean plane [r.m.s. deviation = 0.007 (2) Å] of the benzo-furan ring system and the pendant 4-fluoro-phenyl and phenyl rings are 5.93 (9) and 80.23 (5)°, respectively. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions, forming a three-dimensional network.

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Crystal structure of 2-(3-fluoro-phen-yl)-5-iodo-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C15H10FIO2S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.015?(2)?Å] and the 3-fluoro-phenyl ring is 29.63?(7)°. In the crystal, mol-ecules are linked into inversion dimers along the b-axis direction by two different pairs of C-H?O hydrogen bonds and I?O [3.228?(1)?Å] contacts.

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5-Bromo-2-(4-fluoro-phen-yl)-7-methyl-3-phenyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C21H14BrFO2S, the dihedral angles between the mean plane [r.m.s. deviation = 0.005 (1) Å] of the benzo-furan ring system and the pendant 4-fluoro-phenyl and phenyl rings are 1.50 (8) and 81.47 (6)°, respectively. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds into supra-molecular chains running along the a-axis direction. A short S⋯O contact [2.9623 (13) Å] involving the sulfinyl groups is observed between inversion-related chains.

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5-Fluoro-2-(2-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C15H10F2O2S, the dihedral angle between the plane of the benzo-furan ring system (r.m.s. deviation = 0.015?Å) and that of the 2-fluoro-phenyl ring is 28.53?(6)°. In the crystal, mol-ecules are linked by C-H?O and C-H?F hydrogen bonds, and by ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.625?(2)?Å], forming a three-dimensional network.

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5-Iodo-7-methyl-2-(4-methyl-phen-yl)-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C17H15IO2S, the dihedral angle between the benzofuran group (r.m.s. deviation = 0.009 Å) and the 4-methylbenzene ring is 12.69 (5)°. In the crystal, mol-ecules are linked via pairs of I⋯O [I⋯O = 3.164 (1) Å, C-I⋯O = 166.63 (5)°] contacts into inversion-related dimers.

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2-(2-Fluoro-phen-yl)-5-iodo-7-methyl-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C16H12FIO2S, the dihedral angle between the plane of the benzo-furan ring system (r.m.s. deviation = 0.023?Å) and that of the 2-fluoro-phenyl ring is 39.78?(7)°. In the crystal, mol-ecules are linked via pairs of I?? contacts [3.812?(2)?Å] and a ?-? inter-action between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.821?(2)?Å] into inversion dimers. These dimers are further linked by ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.668?(2)?Å]. The mol-ecules stack along the a-axis direction. In addition, C-H?O hydrogen bonds are observed between inversion-related dimers.

| S-EPMC4051089 | biostudies-other

3-Ethyl-sulfinyl-2-(3-fluoro-phen-yl)-5-phenyl-1-benzo-furan.

Project description:In the title compound, C22H17FO2S, the dihedral angles between the mean plane [r.m.s. deviation = 0.005 (1) Å] of the benzo-furan ring system and the pendant 3-fluoro-phenyl and phenyl rings are 23.92 (5) and 32.44 (5)°, respectively. In the crystal, mol-ecules are linked by two weak C-H⋯O(sulfin-yl) hydrogen bonds and a C-H⋯π inter-action, forming a sheet, which lies in the ab plane. A π-π inter-action between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.976 (2) Å] links the mol-ecules into inversion dimers and connects adjacent sheets, resulting in a three-dimensional network.

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5-Bromo-2-(2-fluoro-phen-yl)-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C15H10BrFO2S, the 2-fluoro-phenyl ring makes a dihedral angle of 32.28?(6)° with the mean plane [r.m.s. deviation = 0.010?(1)?Å] of the benzo-furan fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds and Br?O contacts [3.0917?(13)?Å], forming a three-dimensional network.

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5-Cyclo-hexyl-2-(4-fluoro-phen-yl)-3-phenyl-sulfinyl-1-benzo-furan.

Project description:The asymmetric unit of the title compound, C26H23FO2S, contains two independent mol-ecules (A and B), in both of which the cyclo-hexyl ring adopts a chair conformation. The benzo-furan ring systems, the 4-fluoro-phenyl and phenyl rings are essentially planar, with r.m.s. deviations of 0.008?(1), 0.002?(1) and 0.003?(1)?Å, respectively, for mol-ecule A, and 0.016?(1), 0.004?(1) and 0.002?(1)?Å, respectively, for mol-ecule B. The dihedral angles between the benzo-furan ring system and the pendant 4-fluoro-phenyl and phenyl rings are 12.3?(7) and 85.42?(4)°, respectively, for mol-ecule A, and 39.67?(6) and 72.17?(4)°, respectively, for mol-ecule B. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions, resulting in a three-dimensional network.

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5-Chloro-2-(4-fluoro-phen-yl)-7-methyl-3-methyl-sulfinyl-1-benzo-furan.

Project description:In the title compound, C16H12ClFO2S, the 4-fluoro-phenyl ring makes a dihedral angle of 16.43 (4)° with the mean plane [r.m.s. deviation = 0.012 (1) Å] of the benzo-furan fragment. In the crystal, mol-ecules are linked by pairs of Cl⋯O contacts [3.1839 (12) Å] into inversion dimers, which are further packed into stacks along the b axis by weak C-H⋯O hydrogen bonds.

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