The asymmetric unit of the title compound, C~12~H~13~N~3~O~2~·H~2~O, comprises two crystallographically independent organic molecules and two water molecules. There is an O—H...N hydrogen bond between each water molecule and the 2-substituted pyridyl ring of an organic molecule. The water molecules
Ethyl 2-(2,3-dioxoindolin-1-yl)acetate
✍ Scribed by Robeyns, Koen ;Rohand, Taoufik ;Bouhfid, Rachid ;Essassi, EL Mokhtar ;Van Meervelt, Luc
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 149 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.004 A Ê R factor = 0.047 wR factor = 0.145 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.
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
In the title compound, C 19 H 17 O 3 N 4 S, a substituted oxadiazole derivative and an important biologically active compound, electron delocalization in the oxadiazole ring is reflected in the C-N bond lengths.
In the molecule of the title compound, C 21 H 18 N 4 O 2 S, all of the rings are individually planar. In the crystal structure, the molecules are linked by intermolecular N-HÁ Á ÁO hydrogen bonds, forming an infinite chain.