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Crystal structure of 5-chloro-3-(4-fluoro-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzo-furan.

ABSTRACT: In the title compound, C17H14ClFO2S, the dihedral angle between the mean planes of the benzo-furan ring system [maximum deviation = 0.037?(2)?Å] and the 4-fluoro-benzene ring is 71.92?(5)°. An intra-molecular C-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked by ?-? stacking between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.7103?(10)?Å]. These mol-ecules are further linked by C-S?? [S?centroid = 3.570?(1)?Å] and C-H?O inter-actions, resulting in a three-dimensional supra-molecular network.

SUBMITTER: Choi HD

PROVIDER: S-EPMC4257165 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of 5-chloro-3-(4-fluoro-phenyl-sulfin-yl)-2,4,6-trimethyl-1-benzo-furan.

Choi Hong Dae HD Lee Uk U

Acta crystallographica. Section E, Structure reports online 20140903 Pt 10

In the title compound, C17H14ClFO2S, the dihedral angle between the mean planes of the benzo-furan ring system [maximum deviation = 0.037 (2) Å] and the 4-fluoro-benzene ring is 71.92 (5)°. An intra-molecular C-H⋯O hydrogen bond occurs. In the crystal, mol-ecules are linked by π-π stacking between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.7103 (10) Å]. These mol-ecules are further linked by C-S⋯π [S⋯centroid = 3.570 (1) Å] and C-H⋯O inter-actions, resulting in ...[more]

PMID: 25484681

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