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5-Chloro-3-ethyl-sulfinyl-2-(4-fluoro-phen-yl)-1-benzofuran.

ABSTRACT: In the title compound, C(16)H(12)ClFO(2)S, the 4-fluoro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 6.96 (5)°. The crystal structure exhibits a Cl⋯O inter-action with a Cl⋯O distance of 3.163 (1) Å.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2979967 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-(4-Chloro-phen-yl)-3-ethyl-sulfinyl-5-fluoro-1-benzofuran.

Project description:In the title compound, C(16)H(12)ClFO(2)S, the 4-chloro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 19.79?(8)°. The crystal structure exhibits weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

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3-Ethyl-sulfinyl-5-fluoro-2-(4-iodo-phen-yl)-1-benzofuran.

Project description:In the title compound, C(16)H(12)FIO(2)S, the 4-iodo-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 11.41?(7)°. The crystal structure is stabilized by an inter-molecular ?-? inter-action between the benzene and 4-iodo-phenyl rings [centroid-centroid distance = 3.757?(3)?Å]. The crystal structure also exhibits a weak inter-molecular C-H?O hydrogen bond and a short I?O [3.2575?(16)?Å] contact.

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

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

Project description:In the title compound, C(15)H(10)ClFO(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, making a dihedral angle of 25.99 (4)°. The crystal structure is stabilized by a non-classical inter-molecular C-H⋯O hydrogen bond and a Cl⋯O halogen bond [3.244 (1) Å].

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5-Chloro-3-ethyl-sulfinyl-2-(4-iodo-phen-yl)-1-benzofuran.

Project description:In the title compound, C(16)H(12)ClIO(2)S, the 4-iodo-phenyl ring is rotated out of the benzofuran plane by 9.4 (1)°. In the crystal structure, inter-molecular C-H⋯π inter-actions and short inter-molecular I⋯O contacts [3.142 (2) Å] are observed.

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

Project description:In the title compound, C(17)H(14)ClFO(2)S, the 4-fluoro-phenyl ring is rotated slightly out of the benzofuran plane, as indicated by the dihedral angle of 8.32?(5)°. The crystal structure features a short Cl?O contact [3.092?(1)?Å].

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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].

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3-Ethyl-sulfinyl-2-(3-fluoro-phen-yl)-5-iodo-7-methyl-1-benzofuran.

Project description:In the title compound, C(17)H(14)FIO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 14.56?(5)° with the mean plane [r.m.s. deviation = 0.012?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked via pairs of I?O contacts [3.038?(2)?Å], forming inversion dimers. In the 3-fluoro-phenyl ring, the F atom is disordered over two positions, with site-occupancy factors of 0.747?(3) and 0.253?(3).

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3-Ethyl-sulfinyl-2-(4-fluoro-phen-yl)-5,6-methyl-enedi-oxy-1-benzofuran.

Project description:In the title compound, C(17)H(13)FO(4)S, the 4-fluoro-phenyl ring makes a dihedral angle of 4.92?(4)° with the plane of the 5,6-methyl-enedi-oxy-1-benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?F hydrogen bonds.

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3-Ethyl-sulfinyl-2-(3-fluoro-phen-yl)-5,6-methyl-enedi-oxy-1-benzofuran.

Project description:In the title compound, C17H13FO4S, the 3-fluoro-phenyl ring makes a dihedral angle of 6.14 (5)° with the mean plane [r.m.s. deviation = 0.008 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯F, C-H⋯O and C-H⋯π inter-actions, forming a three--dimensional network. The crystal structure also exhibits slipped π-π inter-actions between the 3-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.769 (2) Å and slippage = 1.684 (2) Å].

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