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Methyl 2-[5-(4-hydroxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran-2-yl]acetate.


ABSTRACT: In the title compound, C(18)H(16)O(4)S, the 4-hydroxy-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 34.52?(6)°. The methyl group of the methyl-sulfanyl substituent is almost perpendicular to the plane of the benzofuran fragment [100.90?(8)°] and is slightly tilted towards it. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds, and by inter-molecular C-H?? inter-actions between a methyl H atom of the methyl-sulfanyl substituent and the 4-hydroxy-phenyl ring.

SUBMITTER: Choi HD 

PROVIDER: S-EPMC2970204 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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Methyl 2-[5-(4-hydroxy-phen-yl)-3-methyl-sulfanyl-1-benzofuran-2-yl]acetate.

Choi Hong Dae HD   Seo Pil Ja PJ   Son Byeng Wha BW   Lee Uk U  

Acta crystallographica. Section E, Structure reports online 20090926 Pt 10


In the title compound, C(18)H(16)O(4)S, the 4-hydroxy-phenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 34.52 (6)°. The methyl group of the methyl-sulfanyl substituent is almost perpendicular to the plane of the benzofuran fragment [100.90 (8)°] and is slightly tilted towards it. The crystal structure is stabilized by inter-molecular O-H⋯O hydrogen bonds, and by inter-molecular C-H⋯π inter-actions between a methyl H atom of the methyl-sulfanyl substituent and the 4-h  ...[more]

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