Ethyl 2-(5-bromo-3-ethyl­sulfinyl-1-benzofuran-2-yl)acetate

The title compound, C(14)H(15)BrO(4)S, was prepared by the oxidation of ethyl 2-(5-bromo-3-ethyl­sulfanyl-1-benzofuran-2-yl)acetate with 3-chloro­peroxy­benzoic acid. The crystal structure is stabilized by aromatic π–π inter­actions between the benzene rings of neighbouring mol­ecules [centroid–cent...

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Detalles Bibliográficos
Autores principales: Choi, Hong Dae, Seo, Pil Ja, Son, Byeng Wha, Lee, Uk
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968862/
https://www.ncbi.nlm.nih.gov/pubmed/21582557
http://dx.doi.org/10.1107/S1600536809009775
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author Choi, Hong Dae
Seo, Pil Ja
Son, Byeng Wha
Lee, Uk
author_facet Choi, Hong Dae
Seo, Pil Ja
Son, Byeng Wha
Lee, Uk
author_sort Choi, Hong Dae
collection PubMed
description The title compound, C(14)H(15)BrO(4)S, was prepared by the oxidation of ethyl 2-(5-bromo-3-ethyl­sulfanyl-1-benzofuran-2-yl)acetate with 3-chloro­peroxy­benzoic acid. The crystal structure is stabilized by aromatic π–π inter­actions between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.814 (9) Å], and possibly by weak C—H⋯π inter­actions. In addition, the crystal structure exhibits three inter­molecular C—H⋯O non-classical hydrogen bonds. The ethyl group bonded to carboxyl­ate O atom is disordered over two positions, with refined site-occupancy factors of 0.686 (18) and 0.314 (18).
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spelling pubmed-29688622010-12-30 Ethyl 2-(5-bromo-3-ethyl­sulfinyl-1-benzofuran-2-yl)acetate Choi, Hong Dae Seo, Pil Ja Son, Byeng Wha Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(14)H(15)BrO(4)S, was prepared by the oxidation of ethyl 2-(5-bromo-3-ethyl­sulfanyl-1-benzofuran-2-yl)acetate with 3-chloro­peroxy­benzoic acid. The crystal structure is stabilized by aromatic π–π inter­actions between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.814 (9) Å], and possibly by weak C—H⋯π inter­actions. In addition, the crystal structure exhibits three inter­molecular C—H⋯O non-classical hydrogen bonds. The ethyl group bonded to carboxyl­ate O atom is disordered over two positions, with refined site-occupancy factors of 0.686 (18) and 0.314 (18). International Union of Crystallography 2009-03-25 /pmc/articles/PMC2968862/ /pubmed/21582557 http://dx.doi.org/10.1107/S1600536809009775 Text en © Choi et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Choi, Hong Dae
Seo, Pil Ja
Son, Byeng Wha
Lee, Uk
Ethyl 2-(5-bromo-3-ethyl­sulfinyl-1-benzofuran-2-yl)acetate
title Ethyl 2-(5-bromo-3-ethyl­sulfinyl-1-benzofuran-2-yl)acetate
title_full Ethyl 2-(5-bromo-3-ethyl­sulfinyl-1-benzofuran-2-yl)acetate
title_fullStr Ethyl 2-(5-bromo-3-ethyl­sulfinyl-1-benzofuran-2-yl)acetate
title_full_unstemmed Ethyl 2-(5-bromo-3-ethyl­sulfinyl-1-benzofuran-2-yl)acetate
title_short Ethyl 2-(5-bromo-3-ethyl­sulfinyl-1-benzofuran-2-yl)acetate
title_sort ethyl 2-(5-bromo-3-ethyl­sulfinyl-1-benzofuran-2-yl)acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968862/
https://www.ncbi.nlm.nih.gov/pubmed/21582557
http://dx.doi.org/10.1107/S1600536809009775
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AT seopilja ethyl25bromo3ethylsulfinyl1benzofuran2ylacetate
AT sonbyengwha ethyl25bromo3ethylsulfinyl1benzofuran2ylacetate
AT leeuk ethyl25bromo3ethylsulfinyl1benzofuran2ylacetate

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