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
1-(4-Decylphenyl)pyridin-4(1H)-one
✍ Scribed by Li, Chenguang ;Wolf, Jeremy R. ;Dyer, Daniel J. ;Robinson, Paul D.
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 427 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
The title compound, C 15 H 17 NO 2 S, synthesized as an inhibitor for 5-lipoxygenase, comprises the neutral 1,2-diethyl-3hydroxy-6-phenylthiopyridin-4(1H)-one molecule. The H atom of the hydroxy group and the carbonyl O atom form intermolecular hydrogen bonds with another molecule in a head-to-head
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.
In the title molecule, C 20 H 22 N 2 O, the pyridine heterocycle has an envelope conformation. The crystal packing is stabilized by intermolecular N-HÁ Á ÁO hydrogen bonds, which link the molecules into chains along the [110] direction.
In the pyridone ring of the title compound, C 20 H 22 ClNO 2 , single and double bonds alternate, though allowing some degree of delocalization. Two C atoms in the cyclooctene ring are disordered, indicating some ¯exibility of the large ring.