The orientations of NH 2 and CH 3 of the title compound, C 6 H 9 NO 2 , are mainly stabilized by N-HÁ Á ÁO and C-HÁ Á ÁO intramolecular hydrogen bonds, as well as intermolecular N-HÁ Á ÁO and C-HÁ Á ÁO hydrogen bonds.
3-(Methylaminomethylene)pentane-2,4-dione
✍ Scribed by Gróf, Martin, ;Milata, Viktor ;Kožíšek, Jozef ;Tokarčík, Miroslav
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 121 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 100 K Mean (C-C) = 0.002 A R factor = 0.061 wR factor = 0.165 Data-to-parameter ratio = 14.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.004 A Ê R factor = 0.043 wR factor = 0.119 Data-to-parameter ratio = 11.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound C 7 H 9 NO 4 , the 1,3-dioxane-4,6-dione ring exhibits an envelope conformation. Intermolecular hydrogen bonds connect the molecules into chains. One intramolecular N-HÁ Á ÁO hydrogen bond to a carbonyl O atom is also observed, forming a six-membered ring.
In the title compound, C 25 H 29 NO 2 , ring A adopts a slightly distorted half-chair conformation, while rings B and C are in chair conformations. The ®ve-membered ring D adopts a 13,14-half-chair conformation. The 3-pyridyl ring has an E con®guration with respect to the carbonyl group at position