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5-Chloro-3-ethyl-sulfinyl-2-(3-fluoro-phen-yl)-1-benzo-furan.

ABSTRACT: The asymmetric unit of the title compound, C16H12ClFO2S, contains two independent mol-ecules in which the benzo-furan ring systems are essentially planar, with r.m.s. deviations of 0.007?(1) and 0.013?(1)?Å. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds into chains extending along the b axis. These chains are further packed into stacks along the c -axis by S?O contacts [3.1898?(11) and 3.1361?(11)?Å] involving the sulfinyl groups. In both 3-fluoro-phenyl rings, the F atom is disordered over two positions, with site-occupancy factors of 0.921?(2) and 0.079?(2).

SUBMITTER: Choi HD

PROVIDER: S-EPMC3793719 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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5-Chloro-3-ethyl-sulfinyl-2-(3-fluoro-phen-yl)-1-benzo-furan.

Choi Hong Dae HD Seo Pil Ja PJ Lee Uk U

Acta crystallographica. Section E, Structure reports online 20130706 Pt 8

The asymmetric unit of the title compound, C16H12ClFO2S, contains two independent mol-ecules in which the benzo-furan ring systems are essentially planar, with r.m.s. deviations of 0.007 (1) and 0.013 (1) Å. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds into chains extending along the b axis. These chains are further packed into stacks along the c -axis by S⋯O contacts [3.1898 (11) and 3.1361 (11) Å] involving the sulfinyl groups. In both 3-fluoro-phenyl rings, the F atom is ...[more]

PMID: 24109306

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