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

ABSTRACT: In the title compound, C(16)H(12)BrFO(2)S, the 4-fluoro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 5.94?(5)°. The crystal structure exhibits aromatic ?-? inter-actions between the benzene ring and the 4-fluoro-phenyl ring of an adjacent mol-ecule [centroid-centroid distance = 3.632?(2)?Å], and a Br?O halogen bond with a Br?O distance of 3.101?(1)?Å.

PROVIDER: S-EPMC2979841 | BioStudies | 2010-01-01T00:00:00Z

REPOSITORIES: biostudies

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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

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

Project description:In the title compound, C(15)H(10)BrFO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 30.77?(6)° with the mean plane [mean deviation = 0.014?(1)?Å] of the benzofuran ring system. In the crystal, mol-ecules are linked by pairs of weak C-H?O hydrogen bonds into inversion dimers. A Br?O contact [3.214?(1)?Å] is also observed.

| S-EPMC3344581 | BioStudies

5-Bromo-3-ethyl-sulfinyl-2-(4-fluoro-phen-yl)-7-methyl-1-benzofuran.

Project description:In the title compound, C(17)H(14)BrFO(2)S, the 4-fluoro-phenyl ring is rotated slightly out of the benzofuran plane, making a dihedral angle of 7.60?(4)°. The crystal structure is stabilized by a Br?O halogen-bonding inter-action [3.048?(1)?Å].

| S-EPMC2979252 | BioStudies

5-Bromo-3-(3-fluoro-phenyl-sulfin-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)BrFO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 85.0 (1)° with the mean plane [r.m.s. deviation = 0.008 (2) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and a Br⋯O contact [3.200 (3) Å]. The crystal structure also exhibits slipped π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.619 (4) Å and slippage of 1.389 (4) Å]. In the 3-fluoro-phenyl ring, the F atom is disordered over two positions with site-occupancy factors of 0.583 (5) and 0.417 (5).

| S-EPMC3414946 | 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

5-Bromo-2-(4-fluoro-phen-yl)-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 are located on opposite sides of the plane through the benzofuran fragment. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane, as indicated by a dihedral angle of 26.23?(5)°. The crystal structure is stabilized by a non-classical inter-molecular C-H?O hydrogen bond and a Br?O halogen bond [3.163?(2)?Å].

| S-EPMC2980067 | BioStudies

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

Project description:In the title compound, C(16)H(12)BrFO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 16.17?(5)°. The crystal structure exhibits an inter-molecular C-H?O hydrogen bond and a Br?O halogen inter-action [3.112?(2)?Å].

2009-01-01 | S-EPMC2980175 | BioStudies

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

Project description:In the title compound, C(15)H(10)BrFO(2)S, the O atom and the 4-fluoro-phenyl group of the 4-fluoro-phenyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment; the 4-fluoro-phenyl ring is approximately perpendicular to this plane [dihedral angle = 89.38?(6)°]. In the crystal, mol-ecules are linked by a Br?Br contact [3.4816?(5)?Å], and weak inter-molecular C-S?? [3.499?(2)?Å] and C-F?? [3.535?(2)?Å] inter-actions.

| S-EPMC2979595 | 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].

| S-EPMC3007207 | BioStudies

7-Bromo-1-(3-fluoro-phenyl-sulfon-yl)-2-methyl-naphtho-[2,1-b]furan.

Project description:In the title compound, C(19)H(12)BrFO(3)S, the 3-fluoro-phenyl ring makes a dihedral angle of 80.85?(5)° with the mean plane [r.m.s. deviation = 0.009?(2)Å] of the naphtho-furan fragment. In the crystal, mol-ecules are linked by slipped ?-? inter-actions between the furan and the outer benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.756?(3)?Å and slippage of 1.189?(3)?Å].

| S-EPMC3470396 | BioStudies

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