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Ethyl 2-(5-bromo-3-ethyl-sulfinyl-1-benzofuran-2-yl)acetate.

ABSTRACT: The title compound, C(14)H(15)BrO(4)S, was prepared by the oxidation of ethyl 2-(5-bromo-3-ethyl-sulfanyl-1-benzofuran-2-yl)acetate with 3-chloro-peroxy-benzoic acid. The crystal structure is stabilized by aromatic ?-? inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.814?(9)?Å], and possibly by weak C-H?? inter-actions. In addition, the crystal structure exhibits three inter-molecular C-H?O non-classical hydrogen bonds. The ethyl group bonded to carboxyl-ate O atom is disordered over two positions, with refined site-occupancy factors of 0.686?(18) and 0.314?(18).

SUBMITTER: Choi HD 

PROVIDER: S-EPMC2968862 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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Ethyl 2-(5-bromo-3-ethyl-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 20090325 Pt 4

The title compound, C(14)H(15)BrO(4)S, was prepared by the oxidation of ethyl 2-(5-bromo-3-ethyl-sulfanyl-1-benzofuran-2-yl)acetate with 3-chloro-peroxy-benzoic acid. The crystal structure is stabilized by aromatic π-π inter-actions between the benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.814 (9) Å], and possibly by weak C-H⋯π inter-actions. In addition, the crystal structure exhibits three inter-molecular C-H⋯O non-classical hydrogen bonds. The ethyl group bonded to  ...[more]