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3-Ethyl-sulfinyl-5-iodo-2-phenyl-1-benzofuran.

ABSTRACT: In the title compound, C(16)H(13)IO(2)S, the phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 32.56?(6)°. The crystal structure is stabilized by an I?O halogen inter-action [3.200?(2)?Å].

SUBMITTER: Seo PJ

PROVIDER: S-EPMC3006682 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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3-Ethyl-sulfinyl-5-iodo-2-phenyl-1-benzofuran.

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

Acta crystallographica. Section E, Structure reports online 20100626 Pt 7

In the title compound, C(16)H(13)IO(2)S, the phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 32.56 (6)°. The crystal structure is stabilized by an I⋯O halogen inter-action [3.200 (2) Å]. ...[more]

PMID: 21588022

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

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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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Project description:In the title compound, C(17)H(15)IO(2)S, the 4-iodo-phenyl ring makes a dihedral angle of 35.39?(8)° with the plane of the benzofuran fragment. In the crystal, mol-ecules are linked by inter-molecular C-H?O and C-H?? inter-actions, and an I?O contact [3.378?(2)?Å]. The crystal structure also exhibits aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.495?(3)?Å].

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

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Project description:In the title compound, C(17)H(14)FIO(2)S, the 4-fluoro-phenyl ring is rotated out of the benzofuran plane, as indicated by the dihedral angle of 15.60?(6)°. The crystal structure exhibits an I?O inter-action [3.052?(2)?Å].

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