Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate
The title compound, C12H11ClO4S, was prepared by the oxidation of methyl 2-(5-chloro-3-methylsulfanyl-1-benzofuran-2-yl)acetate with 3-chloroperoxybenzoic acid. The O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crysta...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2008-11-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536808033503 |
| _version_ | 1819289278404886528 |
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| author | Hong Dae Choi Pil Ja Seo Byeng Wha Son Uk Lee |
| author_facet | Hong Dae Choi Pil Ja Seo Byeng Wha Son Uk Lee |
| author_sort | Hong Dae Choi |
| collection | DOAJ |
| description | The title compound, C12H11ClO4S, was prepared by the oxidation of methyl 2-(5-chloro-3-methylsulfanyl-1-benzofuran-2-yl)acetate with 3-chloroperoxybenzoic acid. 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 rings of neighbouring molecules [centroid-to-centroid distance = 3.809 (2) Å], and by C—H...π interactions between a methyl H atom and the furan ring of an adjacent molecule. In addition, the crystal structure exhibits intermolecular C—H...O hydrogen bonds. |
| first_indexed | 2024-12-24T03:04:18Z |
| format | Article |
| id | doaj.art-97e907c91d344ecba1e0b6b29b8f3403 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T03:04:18Z |
| publishDate | 2008-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-97e907c91d344ecba1e0b6b29b8f34032022-12-21T17:18:04ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-11-016411o2139o213910.1107/S1600536808033503Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetateHong Dae ChoiPil Ja SeoByeng Wha SonUk LeeThe title compound, C12H11ClO4S, was prepared by the oxidation of methyl 2-(5-chloro-3-methylsulfanyl-1-benzofuran-2-yl)acetate with 3-chloroperoxybenzoic acid. 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 rings of neighbouring molecules [centroid-to-centroid distance = 3.809 (2) Å], and by C—H...π interactions between a methyl H atom and the furan ring of an adjacent molecule. In addition, the crystal structure exhibits intermolecular C—H...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?S1600536808033503 |
| spellingShingle | Hong Dae Choi Pil Ja Seo Byeng Wha Son Uk Lee Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate Acta Crystallographica Section E |
| title | Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
| title_full | Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
| title_fullStr | Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
| title_full_unstemmed | Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
| title_short | Methyl 2-(5-chloro-3-methylsulfinyl-1-benzofuran-2-yl)acetate |
| title_sort | methyl 2 5 chloro 3 methylsulfinyl 1 benzofuran 2 yl acetate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536808033503 |
| work_keys_str_mv | AT hongdaechoi methyl25chloro3methylsulfinyl1benzofuran2ylacetate AT piljaseo methyl25chloro3methylsulfinyl1benzofuran2ylacetate AT byengwhason methyl25chloro3methylsulfinyl1benzofuran2ylacetate AT uklee methyl25chloro3methylsulfinyl1benzofuran2ylacetate |