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

ABSTRACT: In the title compound, C(14)H(15)FO(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent are located on opposite sides of the plane of the benzofuran fragment which is essentially planar with a mean deviation of 0.008?(1)?Å from its least-squares plane. The crystal structure stabilized by three different inter-molecular non-classical C-H?O hydrogen bonds. The crystal structure also exhibits aromatic ?-? inter-actions between the benzene rings of adjacent benzofuran ring systems [centroid-centroid distance = 3.688?(2)?Å].

SUBMITTER: Choi HD

PROVIDER: S-EPMC2970216 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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Isopropyl 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 20090919 Pt 10

In the title compound, C(14)H(15)FO(4)S, the O atom and the methyl group of the methyl-sulfinyl substituent are located on opposite sides of the plane of the benzofuran fragment which is essentially planar with a mean deviation of 0.008 (1) Å from its least-squares plane. The crystal structure stabilized by three different inter-molecular non-classical C-H⋯O hydrogen bonds. The crystal structure also exhibits aromatic π-π inter-actions between the benzene rings of adjacent benzofuran ring system ...[more]

PMID: 21577938

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