| Reference Type | Journal (article/letter/editorial) |
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| Title | 2-[5-(4-Bromophenyl)-3-methylsulfanyl-1-benzofuran-2-yl]acetic acid |
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| Journal | Acta Crystallographica Section E Structure Reports Online |
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| Authors | Choi, Hong Dae | Author |
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| Seo, Pil Ja | Author |
| Son, Byeng Wha | Author |
| Lee, Uk | Author |
| Year | 2007 (November 1) | Volume | 63 |
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| Issue | 11 |
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| Publisher | International Union of Crystallography (IUCr) |
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| DOI | doi:10.1107/s1600536807049926Search in ResearchGate |
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| Generate Citation Formats |
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| Mindat Ref. ID | 467227 | Long-form Identifier | mindat:1:5:467227:6 |
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| GUID | 0 |
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| Full Reference | Choi, Hong Dae, Seo, Pil Ja, Son, Byeng Wha, Lee, Uk (2007) 2-[5-(4-Bromophenyl)-3-methylsulfanyl-1-benzofuran-2-yl]acetic acid. Acta Crystallographica Section E Structure Reports Online, 63 (11) doi:10.1107/s1600536807049926 |
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| Plain Text | Choi, Hong Dae, Seo, Pil Ja, Son, Byeng Wha, Lee, Uk (2007) 2-[5-(4-Bromophenyl)-3-methylsulfanyl-1-benzofuran-2-yl]acetic acid. Acta Crystallographica Section E Structure Reports Online, 63 (11) doi:10.1107/s1600536807049926 |
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| In | (2007, November) Acta Crystallographica Section E Structure Reports Online Vol. 63 (11) International Union of Crystallography (IUCr) |
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| Abstract/Notes | The title compound, C17H13BrO3S, was prepared by alkaline hydrolysis of ethyl 2-[5-(4-bromophenyl)-3-methylsulfanyl-1-benzofuran-2-yl]acetate. There are two symmetry-independent molecules in the asymmetric unit. The 4-bromophenyl rings are rotated out of the benzofuran planes, with dihedral angles for the two molecules of 50.22 (8) and 35.4 (1)°. The methyl groups of the methylsulfanyl substituent are almost perpendicular to the plane of the benzofuran fragment [99.5 (2) and 100.8 (2)°] and are slightly tilted towards it. The crystal structure is stabilized by a C—H...O hydrogen bond and a Br...O halogen bond [Br...O = 3.284 (2) Å], and by inversion-related intermolecular O—H...O hydrogen bonds between the carboxyl groups from two symmetry-independent molecules. |
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