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

ABSTRACT: In the title compound, C(17)H(15)FO(3)S, the 3-fluoro-phenyl ring makes a dihedral angle of 73.39?(4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds. The crystal structure also exhibits a slipped ?-? inter-action between the furan and benzene rings of neighboring mol-ecules [centroid-centroid distance = 3.743?(2)?Å, inter-planar distance = 3.543?(2)?Å and slippage = 1.207?(2)?Å].

SUBMITTER: Seo PJ

PROVIDER: S-EPMC3239004 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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

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

Acta crystallographica. Section E, Structure reports online 20111119 Pt 12

In the title compound, C(17)H(15)FO(3)S, the 3-fluoro-phenyl ring makes a dihedral angle of 73.39 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds. The crystal structure also exhibits a slipped π-π inter-action between the furan and benzene rings of neighboring mol-ecules [centroid-centroid distance = 3.743 (2) Å, inter-planar distance = 3.543 (2) Å and slippage = 1.207 (2) Å]. ...[more]

PMID: 22199853

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

Project description:In the title compound, C(17)H(15)FO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 72.67?(5)° with the benzofuran plane. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds.

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

Project description:In the title compound, C(18)H(18)O(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 86.35?(3)° with the mean plane [mean deviation = 0.006?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions. The crystal structure also exhibits weak ?-? inter-actions between the furan and benzene rings of neighbouring benzofuran systems [centroid-centroid distance = 3.685?(2), inter-planar distance = 3.572?(2) and slippage = 0.906?(2)?Å].

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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)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title mol-ecule, C(17)H(15)FO(2)S, the O atom and the 4-fluoro-phenyl group of the 4-fluoro-phenyl-sulfinyl substituent lie on opposite sides of the benzofuran fragment. The mean planes of the benzofuran and 4-fluoro-phenyl fragments form a dihedral angle of 86.07 (4)°. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked via inter-molecular C-H⋯π inter-actions.

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3-(3-Fluoro-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)FO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 86.89 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds. The crystal structure also exhibits a slipped π-π inter-action between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.719 (2) Å, inter-planar distance = 3.475 (2) Å and slippage = 1.325 Å].

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3-(2-Fluoro-phenyl-sulfon-yl)-2,5,7-trimethyl-1-benzo-furan.

Project description:In the title compound, C17H15FO3S, the dihedral angle between the mean planes of the benzo-furan and 2-fluoro-phenyl rings is 87.61?(4)?Å. In the crystal, mol-ecules are linked via pairs of C-H?? inter-actions into inversion-related dimers. These dimers are linked by C-H?O hydrogen bonds into supra-molecular chains running along the a-axis direction.

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3-(4-Bromo-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)BrO(2)S, the 4-bromo-phenyl ring makes a dihedral angle of 87.78?(5)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, and by weak inter-molecular C-S?? [3.399?(2)?Å] and C-Br?? [3.797?(2) and 3.757?(2)?Å] inter-actions.

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

Project description:In the title compound, C(17)H(15)ClO(2)S, the 3-chloro-phenyl ring makes a dihedral angle of 84.48 (4)° with the mean plane [r.m.s. deviation = 0.004 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O, C-H⋯π and C-S⋯π [3.414 (2) Å] inter-actions. The crystal structure also exhibits weak π-π inter-actions between the furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.826 (2), inter-planar distance = 3.447 (2) and slippage = 1.660 (2) Å].

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2,5,7-Trimethyl-3-phenyl-sulfonyl-1-benzofuran.

Project description:The title compound, C(17)H(16)O(3)S, was prepared by the oxidation of 2,5,7-trimethyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring exhibits a dihedral angle of 81.16 (4)° with the plane of the benzofuran fragment. The crystal structure is stabilized by π-π inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.874 (2) Å] and by C-H⋯π inter-actions between a phenyl H atom of the phenyl-sulfonyl substituent and the furan ring of adjacent mol-ecules. In addition, the crystal structure exhibits intra- and inter-molecular C-H⋯O inter-actions.

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5-Fluoro-3-(4-fluoro-phenyl-sulfon-yl)-2-methyl-1-benzofuran.

Project description:In the title compound, C(15)H(10)F(2)O(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 73.20?(4)° with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic ?-? inter-actions between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.805?(3)?Å]. The crystal structure also exhibits weak inter-molecular C-H?O and C-H?F inter-actions.

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