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3-(4-Chloro-phenyl-sulfin-yl)-2,4,7-tri-meth-yl-1-benzo-furan.


ABSTRACT: In the title compound, C17H15ClO2S, the dihedral angle between the mean plane [r.m.s. deviation = 0.020?(2)?Å] of the benzo-furan ring system and the mean plane [r.m.s. deviation = 0.011?(1)?Å] of the 4-chloro-phenyl ring is 72.68?(6)°. In the crystal, mol-ecules are linked via pairs of C-H?? inter-actions into inversion dimers. These dimers are further packed by C-H?O hydrogen bonds into supra-molecular chains running along the a-axis direction. In addition, the crystal structure also exhibits ?-? inter-actions between the 4-chloro-phenyl rings of adjacent mol-ecules [centroid-centroid distance = 4.094?(3)?Å, inter-planar distance = 3.648?(3)?Å and slippage = 1.656?(3)?Å].

SUBMITTER: Choi HD 

PROVIDER: S-EPMC3884416 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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3-(4-Chloro-phenyl-sulfin-yl)-2,4,7-tri-meth-yl-1-benzo-furan.

Choi Hong Dae HD   Seo Pil Ja PJ   Lee Uk U  

Acta crystallographica. Section E, Structure reports online 20130803 Pt 9


In the title compound, C17H15ClO2S, the dihedral angle between the mean plane [r.m.s. deviation = 0.020 (2) Å] of the benzo-furan ring system and the mean plane [r.m.s. deviation = 0.011 (1) Å] of the 4-chloro-phenyl ring is 72.68 (6)°. In the crystal, mol-ecules are linked via pairs of C-H⋯π inter-actions into inversion dimers. These dimers are further packed by C-H⋯O hydrogen bonds into supra-molecular chains running along the a-axis direction. In addition, the crystal structure also exhibits  ...[more]

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