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Propyl 2-(5-bromo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate

In the title compound, C(14)H(15)BrO(4)S, the S atom has a distorted trigonal–pyramidal coordination. The O atom and the methyl group of the methyl­sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The mol­ecules form slightly slipped π-stacked inversion-symmetric d...

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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/PMC2968554/
https://www.ncbi.nlm.nih.gov/pubmed/21582183
http://dx.doi.org/10.1107/S160053680900453X
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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(14)H(15)BrO(4)S, the S atom has a distorted trigonal–pyramidal coordination. The O atom and the methyl group of the methyl­sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The mol­ecules form slightly slipped π-stacked inversion-symmetric dimers by inter­molecular aromatic π–π inter­actions, with a centroid-to-centroid distance of 3.695 (4) Å between the benzene rings of neighbouring mol­ecules. The crystal packing is further stabilized by inter­molecular C—H⋯π inter­actions between the methyl­ene H atoms of the propyl group towards the benzene and furan rings of neighbouring mol­ecules, respectively. Additionally, the crystal structure exhibits weak inter­molecular C—H⋯O hydrogen bonds.
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spelling pubmed-29685542010-12-30 Propyl 2-(5-bromo-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(14)H(15)BrO(4)S, the S atom has a distorted trigonal–pyramidal coordination. The O atom and the methyl group of the methyl­sulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The mol­ecules form slightly slipped π-stacked inversion-symmetric dimers by inter­molecular aromatic π–π inter­actions, with a centroid-to-centroid distance of 3.695 (4) Å between the benzene rings of neighbouring mol­ecules. The crystal packing is further stabilized by inter­molecular C—H⋯π inter­actions between the methyl­ene H atoms of the propyl group towards the benzene and furan rings of neighbouring mol­ecules, respectively. Additionally, the crystal structure exhibits weak inter­molecular C—H⋯O hydrogen bonds. International Union of Crystallography 2009-02-13 /pmc/articles/PMC2968554/ /pubmed/21582183 http://dx.doi.org/10.1107/S160053680900453X 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
Propyl 2-(5-bromo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title Propyl 2-(5-bromo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_full Propyl 2-(5-bromo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_fullStr Propyl 2-(5-bromo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_full_unstemmed Propyl 2-(5-bromo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_short Propyl 2-(5-bromo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
title_sort propyl 2-(5-bromo-3-methyl­sulfinyl-1-benzofuran-2-yl)acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968554/
https://www.ncbi.nlm.nih.gov/pubmed/21582183
http://dx.doi.org/10.1107/S160053680900453X
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