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5-Bromo-3-ethyl-sulfinyl-7-methyl-2-(4-methyl-phen-yl)-1-benzo-furan.

ABSTRACT: In the title compound, C18H17BrO2S, the dihedral angle between the mean planes of the benzo-furan and 4-methyl-phenyl rings is 14.54?(5)°. In the crystal, mol-ecules are linked via pairs of ?-? inter-actions between the benzene and 4-methyl-phenyl rings, with centroid-centroid distances of 3.811?(3) and 3.755?(3)?Å. A similar inter-action is found between the furan and 4-methyl-phenyl rings, with a centroid-centroid distance of 3.866?(3)?Å between neighbouring mol-ecules. The mol-ecules are stacked along the a-axis direction. In addition, a short Br?O contact distance of 3.128?(2)?Å is observed between inversion-related dimers.

SUBMITTER: Choi HD

PROVIDER: S-EPMC3998609 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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5-Bromo-3-ethyl-sulfinyl-7-methyl-2-(4-methyl-phen-yl)-1-benzo-furan.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20140322 Pt 4

In the title compound, C18H17BrO2S, the dihedral angle between the mean planes of the benzo-furan and 4-methyl-phenyl rings is 14.54 (5)°. In the crystal, mol-ecules are linked via pairs of π-π inter-actions between the benzene and 4-methyl-phenyl rings, with centroid-centroid distances of 3.811 (3) and 3.755 (3) Å. A similar inter-action is found between the furan and 4-methyl-phenyl rings, with a centroid-centroid distance of 3.866 (3) Å between neighbouring mol-ecules. The mol-ecules are stac ...[more]

PMID: 24826160

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