Cargando…

Methyl 2-(5-iodo-7-methyl-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate

There are two symmetry-independent mol­ecules in the asymmetric unit of the title compound, C(13)H(13)IO(4)S. In each mol­ecule, 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 ar...

Descripción completa

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/PMC2969819/
https://www.ncbi.nlm.nih.gov/pubmed/21583107
http://dx.doi.org/10.1107/S1600536809016298
_version_ 1782190269828956160
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 There are two symmetry-independent mol­ecules in the asymmetric unit of the title compound, C(13)H(13)IO(4)S. In each mol­ecule, 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 aromatic π–π inter­actions between the benzene and furan ring [centroid–centroid distance = 3.866 (7) Å], and by inter­molecular C—H⋯π inter­actions and a sulfin­yl–sulfinyl inter­action [S⋯O = 3.025 (4) Å]. The crystal structure also exhibits weak inter­molecular C—H⋯O hydrogen bonds and two different I⋯O halogen bonds.
format Text
id pubmed-2969819
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29698192010-12-30 Methyl 2-(5-iodo-7-methyl-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 There are two symmetry-independent mol­ecules in the asymmetric unit of the title compound, C(13)H(13)IO(4)S. In each mol­ecule, 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 aromatic π–π inter­actions between the benzene and furan ring [centroid–centroid distance = 3.866 (7) Å], and by inter­molecular C—H⋯π inter­actions and a sulfin­yl–sulfinyl inter­action [S⋯O = 3.025 (4) Å]. The crystal structure also exhibits weak inter­molecular C—H⋯O hydrogen bonds and two different I⋯O halogen bonds. International Union of Crystallography 2009-05-14 /pmc/articles/PMC2969819/ /pubmed/21583107 http://dx.doi.org/10.1107/S1600536809016298 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-iodo-7-methyl-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title Methyl 2-(5-iodo-7-methyl-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_full Methyl 2-(5-iodo-7-methyl-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_fullStr Methyl 2-(5-iodo-7-methyl-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_full_unstemmed Methyl 2-(5-iodo-7-methyl-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_short Methyl 2-(5-iodo-7-methyl-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_sort methyl 2-(5-iodo-7-methyl-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969819/
https://www.ncbi.nlm.nih.gov/pubmed/21583107
http://dx.doi.org/10.1107/S1600536809016298
work_keys_str_mv AT choihongdae methyl25iodo7methyl3methylsulfinyl1benzofuran2ylacetate
AT seopilja methyl25iodo7methyl3methylsulfinyl1benzofuran2ylacetate
AT sonbyengwha methyl25iodo7methyl3methylsulfinyl1benzofuran2ylacetate
AT leeuk methyl25iodo7methyl3methylsulfinyl1benzofuran2ylacetate