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5-Iodo-2-methyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzofuran.

ABSTRACT: In the title compound, C(16)H(13)IO(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 88.36?(7)° with the mean plane [r.m.s. deviation = 0.006?(2)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds and an I?O contact [3.103?(2)?Å]. The crystal structure also exhibits slipped ?-? inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.659?(2)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3414315 | biostudies-other | 2012 Aug

REPOSITORIES: biostudies-other

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5-Iodo-2-methyl-3-(4-methyl-phenyl-sulfin-yl)-1-benzofuran.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20120707 Pt 8

In the title compound, C(16)H(13)IO(2)S, the 4-methyl-phenyl ring makes a dihedral angle of 88.36 (7)° with the mean plane [r.m.s. deviation = 0.006 (2) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds and an I⋯O contact [3.103 (2) Å]. The crystal structure also exhibits slipped π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.659 (2) Å]. ...[more]

PMID: 22904848

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3-(4-Fluoro-phenyl-sulfin-yl)-5-iodo-2-methyl-1-benzofuran.

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3-(2-Fluoro-phenyl-sulfin-yl)-2,4,5,6-tetra-methyl-1-benzofuran.

Project description:In the title compound, C(18)H(17)FO(2)S, the 2-fluoro-phenyl ring makes a dihedral angle of 85.45 (4)° with the mean plane [r.m.s. deviation = 0.017 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions.

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