3-Hydroxypyridinium-1-acetate dihydrate
✍ Scribed by Zhang, Zhu-Yan ;Huo, Li-Hua ;Gao, Shan ;Zhao, Jing-Gui
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 159 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 7 H 7 NO 3 Á2H 2 O, exists as a betaine. The O atoms of the hydroxy and carboxylate groups of 3hydroxypyridinium-1-acetate interact with water molecules to form a three-dimensional hydrogen-bonded supramolecular network.
📜 SIMILAR VOLUMES
In the crystal structure of the title 1:1 co-crystal, C 7 H 8 NO 3 + Á-NO 3 À ÁC 7 H 7 NO 3 , two cations interact with two zwitterions to form a hydrogen-bonded ring, the nitrate anions being located outside of the ring.
Single-crystal X-ray study T = 295 K Mean '(C±C) = 0.003 A Ê R factor = 0.044 wR factor = 0.123 Data-to-parameter ratio = 15.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.