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

ABSTRACT: 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].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3470245 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

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 π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.671 (3) Å and slippage = 1.049 (3) Å]. ...[more]

PMID: 23125689

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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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Project description:The title compound, C(16)H(13)IO(3)S, was prepared by the oxidation of 5-iodo-2,7-dimethyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 76.31?(8)° 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, and between the benzene rings of neighbouring mol-ecules; the centroid-centroid distances within the stack are 3.700?(4) and 3.788?(4)?Å. In addition, the crystal structure exhibits inter- and intra-molecular C-H?O inter-actions, and an I?O halogen bond with an I?O distance of 3.282?(2)?Å and a nearly linear C-I?O angle of 165.69?(8)°.

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Project description:In the title compound, C17H15ClO3S, the dihedral angle between the mean planes of the benzo-furan and 3-methyl-phenyl rings is 76.99?(4)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds into chains along the b-axis direction. These chains are linked by ?-? inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.976?(2)?Å].

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Project description:In the title compound, C17H15BrO3S, the dihedral angle between the mean planes of the benzo-furan and 3-methyl-phenyl rings is 77.37?(5)°. In the crystal, mol-ecules are linked via pairs of Br?O [Br?O = 3.335?(2)?Å] contacts into inversion dimers. These dimers are further linked by C-H?O hydrogen bonds and ?-? inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid separation = 3.884?(3)?Å] into supra-molecular chains running along the a-axis direction.

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5-Bromo-2,7-dimethyl-3-(4-methyl-phenyl-sulfon-yl)-1-benzo-furan.

Project description:In the title compound, C17H15BrO3S, the dihedral angle between the mean planes of the benzo-furan and 4-methyl-phenyl rings is 76.43?(5)°. In the crystal, mol-ecules are linked via pairs of C-H?O hydrogen bonds into inversion dimers that are further linked by Br?Br [3.6517?(4)?Å] contacts about inversion centers into supra-molecular sheets that lie parallel to (111).

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