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2,4,5,6-Tetra-methyl-3-phenyl-sulfinyl-1-benzofuran.

ABSTRACT: In the title compound, C(18)H(18)O(2)S, the phenyl ring makes a dihedral angle of 87.47?(6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions.

SUBMITTER: Seo PJ

PROVIDER: S-EPMC3120578 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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2,4,5,6-Tetra-methyl-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 20110525 Pt 6

In the title compound, C(18)H(18)O(2)S, the phenyl ring makes a dihedral angle of 87.47 (6)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. ...[more]

PMID: 21754877

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2,4,6,7-Tetra-methyl-3-phenyl-sulfinyl-1-benzofuran.

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3-Methyl-sulfinyl-2-phenyl-1-benzofuran.

Project description:The title compound, C(15)H(12)O(2)S, was prepared by the oxidation of 3-methyl-sulfanyl-2-phenyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 37.65?(8)° with the plane of the benzofuran fragment. The O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran ring system. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.549?(2)?Å] and by inter-molecular C-H?O inter-actions.

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Project description:In the title compound, C(15)H(11)FO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The 2-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 32.1?(2)°. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.690?(5)?Å]. In addition, the crystal structure exhibits inter-molecular C-H?O and C-H?F inter-actions.

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5-Iodo-7-methyl-3-methyl-sulfinyl-2-phenyl-1-benzofuran.

Project description:The title compound, C(16)H(13)IO(2)S, was prepared by the oxidation of 5-iodo-7-methyl-3-methyl-sulfanyl-2-phenyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 27.17?(9)° with the plane of the benzofuran fragment, with the O atom and the methyl group of the methyl-sulfinyl substituent lying on opposite sides of this plane. The crystal structure exhibits inter-molecular C-H?I inter-actions, and an I?O halogen bond of 3.107?(2)?Å with a nearly linear C-I?O angle of 173.73?(6)°.

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5-Cyclo-hexyl-3-methyl-sulfinyl-2-phenyl-1-benzofuran.

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5-Cyclo-pentyl-3-methyl-sulfinyl-2-phenyl-1-benzofuran.

Project description:In the title compound, C(20)H(20)O(2)S, the cyclo-pentyl ring adopts an envelope conformation with the flap atom connected to the benzofuran residue. The phenyl ring makes a dihedral angle of 32.36 (9)° with the mean plane of the benzofuran fragment. In the crystal, mol-ecules are linked through weak C-H⋯O inter-actions. In the cyclo-pentyl ring, two adjacent C atoms are disordered over two sets of sites with site occupancy factors of 0.675 (8) and 0.325 (8).

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Project description:In the title mol-ecule, C(21)H(15)FO(2)S, the O atom and the methyl group of the methyl-sulfinyl substituent are situated on the opposite sides of the plane through the benzofuran fragment. The benzofuran ring plane makes dihedral angles of 28.63?(6) and 31.55?(5)° with the 4-fluoro-phenyl and phenyl rings, respectively. Weak C-H?F and C-H?O hydrogen bonds and inter-molecular C-H?? inter-actions are present in the crystal structure. The title crystal was refined as an inversion twin with a 0.39?(7):0.61?(7) domain ratio.

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5-Bromo-2-phenyl-3-phenyl-sulfinyl-1-benzofuran.

Project description:In the title compound, C(20)H(13)BrO(2)S, the O atom and the phenyl group of the phenyl-sulfinyl substituent are located on opposite sides of the plane of the benzofuran system. The S-bound phenyl ring is almost perpendicular to this plane [80.35?(8)°]. The phenyl ring in the 2-position is twisted with respect to the benzofuran plane, making a dihedral angle of 16.0?(1)°.

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