In the crystal structure of the title compound, C 9 H 7 N 3 O, the molecules are held together by C-HÁ Á ÁN and C-HÁ Á ÁO nonclassical hydrogen bonds. The dihedral angle between pyridine ring and pyrazine ring is 46.45 ( 14) .
1-(1-Adamantyloxy)pyridin-2(1H)-one
✍ Scribed by Hartung, Jens ;Svoboda, Ingrid ;Fuess, Hartmut
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 314 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The bond angle at the bridging O atom between the two subunits of the title compound, C 15 H 18 NO 2 , is 114.1 (5) , which exceeds the values reported for structurally related 1-(alkoxy)pyridin-2(1H)-ones. The pyridone ring and the alkoxy substituent are located on a mirror plane so that the carbonyl O atom is disordered over two positions with occupancies of 50%.
📜 SIMILAR VOLUMES
Structure analysis of the title compound, C 17 H 21 NO 2 ÁH 2 O, containing a polar 4-pyridone moiety, demonstrates that bifurcated acceptor hydrogen bonds involving water molecules as hydrogen-bonding donors and C O groups as hydrogen-bonding acceptors form infinite one-dimensional molecular chains
Single-crystal X-ray study T = 295 K Mean (C-C) = 0.002 A R factor = 0.040 wR factor = 0.111 Data-to-parameter ratio = 15.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.