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

ABSTRACT: 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.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2979946 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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

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

Acta crystallographica. Section E, Structure reports online 20100130 Pt 2

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. ...[more]

PMID: 21579882

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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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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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Project description: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].

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3-(3-Fluoro-phenyl-sulfin-yl)-2,4,6-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 78.38 (4)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions. The crystal structure also exhibits a slipped π-π inter-action between the furan and benzene rings of neighbouring mol-ecules [centroid-centroid distances = 3.628 (2) Å, inter-planar distance = 3.417 (2) Å and slippage = 1.219 (2) Å].

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5-Bromo-3-(4-fluoro-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzofuran.

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3-(4-Chloro-phenyl-sulfin-yl)-2,5,7-tri-methyl-1-benzofuran.

Project description:In the title compound, C(17)H(15)ClO(2)S, the O atom and the 4-chloro-phenyl group of the 4-chloro-phenyl-sulfinyl substituent are located on opposite sides of the plane through the benzofuran fragment; the 4-chloro-phenyl ring is approximately perpendicular to this plane [dihedral angle = 87.12 (3)°]. In the crystal structure, mol-ecules are linked through a weak inter-molecular C-H⋯O hydrogen bond, and by weak C-S⋯π [3.394 (2) Å] and C-Cl⋯π [3.800 (2) Å] inter-actions.

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3-(2-Bromo-phenyl-sulfin-yl)-2,5,7-trimethyl-1-benzo-furan.

Project description:In the title compound, C17H15BrO2S, both the benzo-furan and 2-bromo-phenyl rings are virtually planar, with r.m.s. deviations of 0.009 (2) and 0.006 (2) Å, respectively. The dihedral angle between these mean planes is 89.31 (7)°. In the crystal, mol-ecules are linked via pairs of C-H⋯π inter-actions into inversion dimers. These dimers are further linked by C-H⋯π inter-actions into supra-molecular chains running along the b axis. In addition, C-S⋯π inter-actions, with an S-to-ring-centroid distance of 3.50 (2) Å, are observed between inversion-related dimers.

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