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Methyl 2-(5-fluoro-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate

In the title compound, C(12)H(11)FO(4)S, the O atom and the methyl group of the methyl­sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment [O—S—C—C and C—S—C—C torsion angles = 126.70 (13) and −123.55 (13)°, respectively]. The crystal structure is stabilized by weak no...

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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:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969894/
https://www.ncbi.nlm.nih.gov/pubmed/21577512
http://dx.doi.org/10.1107/S1600536809030451
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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 In the title compound, C(12)H(11)FO(4)S, the O atom and the methyl group of the methyl­sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment [O—S—C—C and C—S—C—C torsion angles = 126.70 (13) and −123.55 (13)°, respectively]. The crystal structure is stabilized by weak non-classical inter­molecular C—H⋯O hydrogen-bond inter­actions. The crystal structure also exhibits aromatic π–π stacking inter­actions between furan/benzene and benzene/benzene rings of adjacent benzofuran ring systems [centroid–centroid distances = 3.8258 (9) and 3.8794 (9) Å] and a weak inter­molecular C—H⋯π ring inter­action.
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spelling pubmed-29698942010-12-30 Methyl 2-(5-fluoro-3-methyl­sulfinyl-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 In the title compound, C(12)H(11)FO(4)S, the O atom and the methyl group of the methyl­sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment [O—S—C—C and C—S—C—C torsion angles = 126.70 (13) and −123.55 (13)°, respectively]. The crystal structure is stabilized by weak non-classical inter­molecular C—H⋯O hydrogen-bond inter­actions. The crystal structure also exhibits aromatic π–π stacking inter­actions between furan/benzene and benzene/benzene rings of adjacent benzofuran ring systems [centroid–centroid distances = 3.8258 (9) and 3.8794 (9) Å] and a weak inter­molecular C—H⋯π ring inter­action. International Union of Crystallography 2009-08-08 /pmc/articles/PMC2969894/ /pubmed/21577512 http://dx.doi.org/10.1107/S1600536809030451 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
Methyl 2-(5-fluoro-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title Methyl 2-(5-fluoro-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_full Methyl 2-(5-fluoro-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_fullStr Methyl 2-(5-fluoro-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_full_unstemmed Methyl 2-(5-fluoro-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_short Methyl 2-(5-fluoro-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_sort methyl 2-(5-fluoro-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969894/
https://www.ncbi.nlm.nih.gov/pubmed/21577512
http://dx.doi.org/10.1107/S1600536809030451
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AT seopilja methyl25fluoro3methylsulfinyl1benzofuran2ylacetate
AT sonbyengwha methyl25fluoro3methylsulfinyl1benzofuran2ylacetate
AT leeuk methyl25fluoro3methylsulfinyl1benzofuran2ylacetate