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3-(4-Chloro-phenyl-sulfon-yl)-2,5-dimethyl-1-benzofuran.

ABSTRACT: In the title compound, C(16)H(13)ClO(3)S, the 4-chloro-phenyl ring makes a dihedral angle of 79.96?(5)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H?O and C-H?? inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3011392 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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3-(4-Chloro-phenyl-sulfon-yl)-2,5-dimethyl-1-benzofuran.

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

Acta crystallographica. Section E, Structure reports online 20101106 Pt 12

In the title compound, C(16)H(13)ClO(3)S, the 4-chloro-phenyl ring makes a dihedral angle of 79.96 (5)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak inter-molecular C-H⋯O and C-H⋯π inter-actions. ...[more]

PMID: 21589375

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3-(3-Chloro-phenyl-sulfon-yl)-2,5-dimethyl-1-benzofuran.

Project description:In the title molecule, C(16)H(13)ClO(3)S, the 3-chloro-phenyl ring makes a dihedral angle of 76.30?(5)° with the mean plane of the benzofuran fragment. In the crystal, pairs of inter-molecular C-H?? inter-actions link the mol-ecules into inversion dimers.

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3-(4-Chloro-phenyl-sulfin-yl)-2,5-dimethyl-1-benzofuran.

Project description:In the crystal structure of the title compound, C(16)H(13)ClO(2)S, the 4-chloro-phenyl ring is oriented approximately perpendicular to the benzofuran ring plane [dihedral angle = 82.45?(5)°]. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O and C-H?? inter-actions.

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3-(3-Chloro-phenyl-sulfon-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)ClO(3)S, the 3-chloro-phenyl ring makes a dihedral angle of 77.76 (6)° with the mean plane [r.m.s. deviation = 0.007 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O and C-H⋯π inter-actions.

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3-(4-Fluoro-phenyl-sulfin-yl)-2,5-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(13)FO(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 nearly perpendicular to this plane, making a dihedral angle of 87.41?(3). The crystal structure exhibits a weak inter-molecular C-H?O hydrogen bond.

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2,5-Dimethyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C17H16O3S, the dihedral angle between the 4-methyl-phenyl ring and the mean plane [r.m.s. deviation = 0.011?(1)?Å] of the benzo-furan ring system is 71.47?(5)°. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, and by slipped ?-? inter-actions between the benzo-furan ring systems of neighbouring mol-ecules [centroid-centroid distances = 3.638?(2) and 3.766?(2)?Å, inter-planar distances = 3.564?(2) and 3.454?(2)?Å, and slippages = 0.730?(2) and 1.501?(2)?Å], forming a three-dimensional network.

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3-(4-Chloro-phenyl-sulfon-yl)-5-isopropyl-2-methyl-1-benzofuran.

Project description:In the title mol-ecule, C(18)H(17)ClO(3)S, the 4-chloro-phenyl ring makes a dihedral angle of 77.03?(5)° with the mean plane of the benzofuran fragment. In the crystal structure, the mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

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3-(3-Chloro-phenyl-sulfon-yl)-5-isopropyl-2-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(17)ClO(3)S, the 3-chloro-benzene ring makes a dihedral angle of 82.04 (5)° with the mean plane [r.m.s. deviation = 0.006 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions.

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5-Iodo-2,7-dimethyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzofuran.

Project description:In the title compound, C(17)H(15)IO(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 76.95?(5)° with the mean plane [r.m.s. deviation = 0.019?(2)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds, forming inversion dimers. These dimers are connected by slipped ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.671?(3)?Å and slippage = 1.049?(3)?Å].

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5-Bromo-3-(4-fluoro-phenyl-sulfon-yl)-2,7-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(12)BrFO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 72.35?(5)° with the mean plane [r.m.s. deviation = 0.008?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked into [010] chains via two different inversion-generated pairs of C-H?O hydrogen bonds. The crystal structure also exhibits slipped ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.667?(2)?Å and slippage = 1.341?(2)?Å], and between the benzene and the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.759?(2)?Å and slippage = 0.757?(2)?Å].

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3-(4-Fluoro-phenyl-sulfon-yl)-5-iodo-2,7-dimethyl-1-benzofuran.

Project description:In the title compound, C(16)H(12)FIO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 72.31?(6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, and by an I?I contact [3.7764?(3)?Å]. The crystal structure also exhibits a weak C-I?? [3.901?(3)?Å] inter-action and a slipped ?-? inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.845?(3), inter-planar distance = 3.555?(3) and slippage = 1.465?(3)?Å].

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