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

ABSTRACT: In the title compound, C(18)H(18)O(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 86.35?(3)° with the mean plane [mean deviation = 0.006?(1)?Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H?O and C-H?? inter-actions. The crystal structure also exhibits weak ?-? inter-actions between the furan and benzene rings of neighbouring benzofuran systems [centroid-centroid distance = 3.685?(2), inter-planar distance = 3.572?(2) and slippage = 0.906?(2)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3379338 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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2,5,7-Trimethyl-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 20120516 Pt 6

In the title compound, C(18)H(18)O(3)S, the 4-methyl-phenyl ring makes a dihedral angle of 86.35 (3)° with the mean plane [mean deviation = 0.006 (1) Å] of the benzofuran fragment. In the crystal, mol-ecules are linked by weak C-H⋯O and C-H⋯π inter-actions. The crystal structure also exhibits weak π-π inter-actions between the furan and benzene rings of neighbouring benzofuran systems [centroid-centroid distance = 3.685 (2), inter-planar distance = 3.572 (2) and slippage = 0.906 (2) Å]. ...[more]

PMID: 22719536

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3-(3-Fluoro-phenyl-sulfon-yl)-2,5,7-trimethyl-1-benzofuran.

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Crystal structure of 3-(2-bromo-phenyl-sulfon-yl)-2,5,7-trimethyl-1-benzo-furan.

Project description:In the title compound, C17H15BrO3S, the dihedral angle between the planes of the benzo-furan ring system [r.m.s. deviation = 0.016?(2)?Å] and the 2-bromo-phenyl ring is 82.93?(6)°. In the crystal, mol-ecules are linked via pairs of C-H?? hydrogen bonds and ?-? inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.881?(2)?Å] into inversion-related dimers along the b-axis direction. These dimers are further linked by short Br?O [3.185?(2)?Å] contacts.

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2,5,7-Trimethyl-3-phenyl-sulfonyl-1-benzofuran.

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