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Ethyl 2-(5-fluoro-3-methyl-sulfinyl-1-benzofuran-2-yl)acetate.

ABSTRACT: In the title compound, C(13)H(13)FO(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The crystal structure exhibits four inter-molecular non-classical C-H?O hydrogen bonds. In addition, the crystal structure contains aromatic ?-? inter-actions between the furan and benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.743?(2)?Å], and two inter-molecular C-H?? inter-actions.

SUBMITTER: Choi HD

PROVIDER: S-EPMC2977135 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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Ethyl 2-(5-fluoro-3-methyl-sulfinyl-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 20090711 Pt 8

In the title compound, C(13)H(13)FO(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The crystal structure exhibits four inter-molecular non-classical C-H⋯O hydrogen bonds. In addition, the crystal structure contains aromatic π-π inter-actions between the furan and benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.743 (2) Å], and two inter-molecular C-H⋯π inter-actions. ...[more]

PMID: 21583528

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