The Baylis–Hillman adduct of 4-nitrobenzaldehyde and cyclohex-2-en-1-one: 2-[hydroxy(4-nitrophenyl)methyl]-cyclohex-2-en-1-one
✍ Scribed by Huo, Fangjun ;Yin, Caixia ;Guo, Wei ;Xia, Chizhong ;Yang, Pin
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 151 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.004 A Ê R factor = 0.056 wR factor = 0.146 Data-to-parameter ratio = 12.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
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In the title compound, C 15 H 17 NO 2 , the six-membered cyclohexene ring has an envelope conformation. The structure is stabilized by O-HÁ Á ÁN hydrogen bonds and weak van der Waals interactions. There are no C-HÁ Á Á orinteractions between the two ring systems; however, there is an intermolecular
A view of the molecular structure of (I) with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitrary radii.
In the title molecule, C 24 H 20 N 2 O 5 , the cyclohexene ring adopts a half-chair conformation. The molecular structure shows some intra-and intermolecular hydrogen bonds.