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3-(4-Fluoro-phenyl-sulfon-yl)-2-methyl-naphtho-[1,2-b]furan.

ABSTRACT: In the title compound, C(19)H(13)FO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 68.59?(5)° with the mean plane of the naphtho-furan fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O, C-H?F and C-H?? inter-actions. The crystal structure also exhibits aromatic ?-? inter-actions between the central benzene and the outer benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.650?(3)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC3011502 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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3-(4-Fluoro-phenyl-sulfon-yl)-2-methyl-naphtho-[1,2-b]furan.

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

Acta crystallographica. Section E, Structure reports online 20101127 Pt 12

In the title compound, C(19)H(13)FO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 68.59 (5)° with the mean plane of the naphtho-furan fragment. In the crystal, mol-ecules are linked by weak inter-molecular C-H⋯O, C-H⋯F and C-H⋯π inter-actions. The crystal structure also exhibits aromatic π-π inter-actions between the central benzene and the outer benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.650 (3) Å]. ...[more]

PMID: 21589581

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Project description:The title compound, C(19)H(13)BrO(3)S, was prepared by the oxidation of 7-bromo-2-methyl-1-(phenyl-sulfan-yl)naph-tho[2,1-b]furan with 3-chloro-peroxy-benzoic acid. The phenyl ring makes a dihedral angle of 80.4?(2)° with the plane of the naphthofuran fragment. The crystal structure is stabilized by aromatic ?-? stacking inter-actions between the brominated benzene ring and the central benzene ring of the naphthofuran system of neighbouring mol-ecules; the centroid-centroid distances within the stack are 3.889?(3) and 3.981?(3)?Å. In addition, the stacked mol-ecules exhibit C-H??, inter- and intra-molecular C-H?O inter-actions.

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