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

ABSTRACT: 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].

SUBMITTER: Seo PJ

PROVIDER: S-EPMC3200819 | biostudies-other | 2011 Sep

REPOSITORIES: biostudies-other

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

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

Acta crystallographica. Section E, Structure reports online 20110817 Pt 9

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 π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.719 (3) Å, inter-planar distance = 3.000 (3) ...[more]

PMID: 22064889

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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-(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].

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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.

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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].

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Project description:In the title compound, C(20)H(12)ClFO(2)S, the O atom and the phenyl ring of the phenyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment; the phenyl ring is almost perpendicular to this plane [82.44?(5)°]. The 4-fluoro-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 20.83?(6)°.

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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].

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