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2-[5-(4-Bromophenyl)-3-methylsulfanyl-1-benzofuran-2-yl]acetic acid

✍ Scribed by Choi, Hong Dae ;Seo, Pil Ja ;Son, Byeng Wha ;Lee, Uk

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
652 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title compound, C~17~H~13~BrO~3~S, 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.

📜 SIMILAR VOLUMES

2-(5-Ethyl-3-methylsulfanyl-1-benzofuran
2-(5-Ethyl-3-methylsulfanyl-1-benzofuran-2-yl)acetic acid
✍ Seo, Pil Ja ;Choi, Hong Dae ;Son, Byeng Wha ;Lee, Uk 📂 Article 📅 2007 🏛 International Union of Crystallography 🌐 English ⚖ 161 KB

The title compound, C 13 H 14 O 3 S, was prepared by alkaline hydrolysis of ethyl 2-(5-ethyl-3-methylsulfanyl-1-benzofuran-2-yl)acetate. The crystal structure is stabilized by aromaticstacking interactions and inversion-related intermolecular O-HÁ Á ÁO hydrogen bonds between adjacent carboxyl groups

5-(4-Bromo­phen­yl)-2-methyl-3-methyl­su
5-(4-Bromo­phen­yl)-2-methyl-3-methyl­sulfanyl-1-benzofuran
✍ Choi, Hong Dae ;Woo, Hyun Mi ;Seo, Pil Ja ;Son, Byeng Wha ;Lee, Uk 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 171 KB

The title compound, C 16 H 13 BrOS, was prepared by the Lewis acid-catalysed reaction of 4 0 -bromo-1,1 0 -biphenyl-4-ol withchloro--(methylsulfanyl)acetone. The crystal structure is stabilized by a C-HÁ Á Á interaction involving a CH group of the 4-bromophenyl ring and the furan ring.