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5-Chloro-3-(4-fluoro-phenyl-sulfon-yl)-2,7-dimethyl-1-benzo-furan.

ABSTRACT: In the title compound, C16H12ClFO3S, the dihedral angle between the plane of the benzo-furan ring system [r.m.s. deviation = 0.007?(1)?Å] and that of the 4-fluoro-phenyl ring is 76.11?(5)°. In the crystal, mol-ecules are linked into [010] chains via two different inversion-generated pairs of C-H?O hydrogen bonds. The crystal structure also exhibits weak ?-? inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.820?(2)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC4186078 | biostudies-other | 2014 Sep

REPOSITORIES: biostudies-other

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5-Chloro-3-(4-fluoro-phenyl-sulfon-yl)-2,7-dimethyl-1-benzo-furan.

Choi Hong Dae HD Lee Uk U

Acta crystallographica. Section E, Structure reports online 20140830 Pt 9

In the title compound, C16H12ClFO3S, the dihedral angle between the plane of the benzo-furan ring system [r.m.s. deviation = 0.007 (1) Å] and that of the 4-fluoro-phenyl ring is 76.11 (5)°. In the crystal, mol-ecules are linked into [010] chains via two different inversion-generated pairs of C-H⋯O hydrogen bonds. The crystal structure also exhibits weak π-π inter-actions between the benzene and furan rings of neighbouring mol-ecules [centroid-centroid distance = 3.820 (2) Å]. ...[more]

PMID: 25309228

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