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5-Isopropyl-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

ABSTRACT: The title compound, C(18)H(18)O(3)S, was prepared by the oxidation of 5-isopropyl-2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 79.37?(6)° with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic ?-? stacking inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.762?(3)?Å]. In addition, the stacked mol-ecules exhibit C-H?? and intra-molecular C-H?O inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2961705 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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5-Isopropyl-2-methyl-3-phenyl-sulfonyl-1-benzofuran.

Choi Hong Dae HD Seo Pil Ja PJ Son Byeng Wha BW Lee Uk U

Acta crystallographica. Section E, Structure reports online 20080613 Pt 7

The title compound, C(18)H(18)O(3)S, was prepared by the oxidation of 5-isopropyl-2-methyl-3-phenyl-sulfanyl-1-benzofuran with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 79.37 (6)° with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic π-π stacking inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.762 (3) Å]. In addition, the stacked mol-ecules exhibit C-H⋯π and intra-molec ...[more]

PMID: 21202891

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