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3-(3-Fluoro-phenyl-sulfin-yl)-5-iodo-2,7-dimethyl-1-benzofuran.

ABSTRACT: In the title compound, C(16)H(12)FIO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 76.47?(6)° with the mean plane [r.m.s. deviation = 0.013?(2)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds,forming chains along the b-axis direction, and an I?O contact [3.204?(2)?Å]. The crystal structure also exhibits slipped ?-? inter-actions between the 3-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.683?(3)?Å and slippage = 1.708?(3)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3470246 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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3-(3-Fluoro-phenyl-sulfin-yl)-5-iodo-2,7-dimethyl-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(16)H(12)FIO(2)S, the 3-fluoro-phenyl ring makes a dihedral angle of 76.47 (6)° with the mean plane [r.m.s. deviation = 0.013 (2) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds,forming chains along the b-axis direction, and an I⋯O contact [3.204 (2) Å]. The crystal structure also exhibits slipped π-π inter-actions between the 3-fluoro-phenyl rings of neighbouring mol-ecules [centroid-centroid distance = 3.683 (3) Å and sl ...[more]

PMID: 23125690

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