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

ABSTRACT: In the title compound, C(21)H(15)FOS, the 4-fluoro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 24.3?(1)°. The dihedral angle between the phenyl ring and the benzofuran plane is 28.3?(1)°. The crystal structure may be stabilized by two very weak aromatic ?-? inter-actions between the furan and the benzene rings of neighbouring benzofuran systems; the centroid-centroid distances are 3.909?(4) and 4.028?(4)?Å.

PROVIDER: S-EPMC2971277 | BioStudies |

REPOSITORIES: biostudies

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3-Ethyl-sulfanyl-2,5-diphenyl-1-benzofuran.

Project description:In the title compound, C(22)H(18)OS, the 2-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 29.18?(6)°. The dihedral angle between the 5-phenyl ring and the benzofuran plane is 20.42?(5)°. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H?? inter-actions.

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3-Ethyl-sulfanyl-2-(4-fluoro-phen-yl)-5-phenyl-1-benzofuran.

Project description:In the title compound, C(22)H(17)FOS, the crystal studied was an inversion twin with a 0.42?(18):0.58?(18) domain ratio. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 17.82?(6)°, and the dihedral angle between the 5-phenyl ring and the benzofuran plane is 29.45?(7)°.

| S-EPMC2979704 | BioStudies

2-(4-Chloro-phen-yl)-3-methyl-sulfanyl-5-phenyl-1-benzofuran.

Project description:In the title compound, C(21)H(15)ClOS, the 4-chloro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 21.50 (6)°. The dihedral angle between the 5-phenyl ring and the benzofuran plane is 29.39 (6)°. The crystal studied was an inversion twin with a 0.65 (7):0.35 (6) domain ratio.

| S-EPMC2983985 | BioStudies

5-Chloro-2-phenyl-3-phenyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(20)H(13)ClO(2)S, the O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment; the S-bound phenyl ring is nearly perpendicular to this plane [80.87?(5)°]. The phenyl ring in the 2-position is rotated out of the benzofuran plane, making a dihedral angle of 17.43?(7)°. The crystal structure features ?-? inter-actions between the phenyl ring and the furyl ring of a neighbouring benzofuran system [centroid-centroid distance = 3.886?(2)?Å].

| S-EPMC2977298 | BioStudies

2-(4-Bromo-phen-yl)-5-fluoro-3-phenyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(20)H(12)BrFO(2)S, the O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment; the phenyl ring is nearly perpendicular to this plane [dihedral angle = 86.98?(6)°]. The 4-bromo-phenyl ring is rotated slightly out of the benzofuran plane, making a dihedral angle of 1.56?(8)°. The crystal structure features aromatic ?-? inter-actions between the furan and phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.506?(3)?Å], and an inter-molecular C-H?? inter-action. The crystal structure also exhibits a short inter-molecular S?S contact [3.2635?(8)?Å].

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2,5-Bis(4-fluoro-phen-yl)-2-methyl-sulfanyl-1-benzofuran.

Project description:The crystal studied of the title compound, C(21)H(14)F(2)OS, was an inversion twin with a 0.67?(8):0.33?(8) domain ratio. The 4-fluoro-phenyl ring in the 2-position makes a dihedral angle of 25.14?(6)° with the mean plane of the benzofuran fragment, and the dihedral angle between 4-fluoro-phenyl ring in the 5-position and the mean plane of the benzofuran fragment is 28.50?(7)°. In the crystal, mol-ecules are linked through weak inter-molecular C-H?F and C-H?? inter-actions.

2011-01-01 | S-EPMC3099888 | BioStudies

5-Bromo-2-(4-fluoro-phen-yl)-3-phenyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(20)H(12)BrFO(2)S, the 4-fluoro-phenyl ring makes a dihedral angle of 2.63?(6)° with the mean plane of the benzofuran fragment. The dihedral angle between the phenyl ring and the mean plane of the benzofuran fragment is 84.60?(6)°. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds, and slipped ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.719?(3)?Å, inter-planar distance = 3.000?(3)?Å and slippage = 1.520?(3)?Å].

2011-01-01 | S-EPMC3200819 | BioStudies

3-Methyl-sulfinyl-2-phenyl-1-benzofuran.

Project description:The title compound, C(15)H(12)O(2)S, was prepared by the oxidation of 3-methyl-sulfanyl-2-phenyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 37.65?(8)° with the plane of the benzofuran fragment. The O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran ring system. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.549?(2)?Å] and by inter-molecular C-H?O inter-actions.

| S-EPMC2960582 | BioStudies

2-(4-Bromo-phen-yl)-5-fluoro-3-methyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)BrFO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-bromo-phenyl ring is rotated out of the benzofuran plane [dihedral angle = 38.98?(8)°], while the structure is stabilized by an inter-molecular C-H?O hydrogen bond and a Br?O halogen bond [3.036?(2)?Å] and has an inter-molecular C-H?? inter-action between the 4-bromo-phenyl H atom and the benzene ring of an adjacent benzofuran mol-ecule, as well as aromatic ?-? inter-actions between the benzene rings of the benzofuran systems [centroid-centroid distance = 3.482?(3)?Å].

| S-EPMC2970042 | BioStudies

2-Methyl-3-phenyl-sulfinyl-1-benzofuran.

Project description:The title compound, C(15)H(12)O(2)S, was prepared by the oxidation of 2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The O atom and the phenyl group of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran system. The phenyl ring makes a dihedral angle of 78.76?(4)° with the benzofuran mean plane. The crystal structure is stabilized by ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 4.017?(3)?Å]. In addition, the crystal structure exhibits inter-molecular C-H?? and C-H?O inter-actions.

| S-EPMC2962107 | BioStudies

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