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7-Bromo-1-(4-chloro-phenyl-sulfan-yl)-2-phenyl-naphtho[2,1-b]furan.

ABSTRACT: In the title compound, C(24)H(14)BrClOS, the S-bound 4-chloro-phenyl ring is nearly perpendicular to the plane of the naphthofuran fragment [dihedral angle = 83.34?(3)°] and the phenyl ring in the 2-position is rotated out of the naphthofuran plane by a dihedral angle of 15.23?(5)°. The crystal structure is stabilized by aromatic ?-? inter-actions between the furan and the central benzene rings of the neighbouring naphthofuran fragments, and between the outer benzene rings of the neighbouring naphthofuran fragments; the centroid-centroid distances within the stack are 3.879?(2) and 3.857?(2)?Å. In addition, inter-molecular C-Cl?? inter-actions [3.505?(2)?Å] between the Cl atom and the 2-phenyl ring are present.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2980269 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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7-Bromo-1-(4-chloro-phenyl-sulfan-yl)-2-phenyl-naphtho[2,1-b]furan.

Choi Hong Dae HD Seo Pil Ja PJ Kim Byung Ki BK Son Byeng Wha BW Lee Uk U

Acta crystallographica. Section E, Structure reports online 20091216 Pt 1

In the title compound, C(24)H(14)BrClOS, the S-bound 4-chloro-phenyl ring is nearly perpendicular to the plane of the naphthofuran fragment [dihedral angle = 83.34 (3)°] and the phenyl ring in the 2-position is rotated out of the naphthofuran plane by a dihedral angle of 15.23 (5)°. The crystal structure is stabilized by aromatic π-π inter-actions between the furan and the central benzene rings of the neighbouring naphthofuran fragments, and between the outer benzene rings of the neighbouring na ...[more]

PMID: 21580059

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