Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.058 wR factor = 0.154 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
1-(1-Benzofuran-2-yl)-2-chloroethanone
✍ Scribed by Kozakiewicz, Anna ;Prewysz-Kwinto, Andrzej ;Wojtczak, Andrzej
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 531 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
The title compound, C 10 H 7 ClO 2 , was synthesized from 1-benzofuran-2-ylethanone by chlorination with thionyl chloride. The benzofuran ring system and the carbonyl group are coplanar. The carbonyl group is in a syn position relative to both the O atom of the benzofuran ring and the Cl atom. C-HÁ Á ÁO contacts are found between the methylene group and carbonyl O atom. Molecules related by a centre of symmetry are involved ininteractions, with distances between the centroids of the furan rings of 3.785 (3) A ˚.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.054 wR factor = 0.132 Data-to-parameter ratio = 11.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
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