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Butyl 2-(5-iodo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate

In the title compound, C(15)H(17)IO(4)S, the O atom and the methyl group of the methyl­sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by weak inter­molecular C—H⋯π inter­actions between a methyl H atom of the methyl­sulfinyl gr...

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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/PMC2968330/
https://www.ncbi.nlm.nih.gov/pubmed/21581881
http://dx.doi.org/10.1107/S1600536809000208
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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(15)H(17)IO(4)S, the O atom and the methyl group of the methyl­sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by weak inter­molecular C—H⋯π inter­actions between a methyl H atom of the methyl­sulfinyl group and the benzene ring of the benzofuran system, and by an I⋯O halogen bond of 3.173 (3) Å and a nearly linear C—I⋯O angle of 171.7 (1)°. In addition, the crystal structure exhibits weak inter­molecular C—H⋯O hydrogen bonds. The O atom of the carbonyl group and the butyl chain are both disordered over two positions with site-occupancy factors from refinement of 0.55 (4) and 0.45 (4) (for the O atom), and 0.76 (2) and 0.24 (2) (for the butyl group).
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spelling pubmed-29683302010-12-30 Butyl 2-(5-iodo-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(15)H(17)IO(4)S, the O atom and the methyl group of the methyl­sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by weak inter­molecular C—H⋯π inter­actions between a methyl H atom of the methyl­sulfinyl group and the benzene ring of the benzofuran system, and by an I⋯O halogen bond of 3.173 (3) Å and a nearly linear C—I⋯O angle of 171.7 (1)°. In addition, the crystal structure exhibits weak inter­molecular C—H⋯O hydrogen bonds. The O atom of the carbonyl group and the butyl chain are both disordered over two positions with site-occupancy factors from refinement of 0.55 (4) and 0.45 (4) (for the O atom), and 0.76 (2) and 0.24 (2) (for the butyl group). International Union of Crystallography 2009-01-08 /pmc/articles/PMC2968330/ /pubmed/21581881 http://dx.doi.org/10.1107/S1600536809000208 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
Butyl 2-(5-iodo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title Butyl 2-(5-iodo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_full Butyl 2-(5-iodo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_fullStr Butyl 2-(5-iodo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_full_unstemmed Butyl 2-(5-iodo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_short Butyl 2-(5-iodo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_sort butyl 2-(5-iodo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968330/
https://www.ncbi.nlm.nih.gov/pubmed/21581881
http://dx.doi.org/10.1107/S1600536809000208
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