5-(Aminomethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
✍ Scribed by da Silva, Luiz Everson ;Joussef, Antonio Carlos ;Silva, Luciano Luiz ;Foro, Sabine ;Schmidt, Boris
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 248 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
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.
📜 SIMILAR VOLUMES
In the title compound, C 14 H 15 NO 5 , the 1,3-dioxane-4,6-dione ring exhibits a half-chair conformation. The amino H atom has one intra-and one intermolecular contact to carbonyl O atoms, with OÁ Á ÁH distances of 2.11 (2) and 2.31 (2) A ˚.
Single-crystal X-ray study T = 297 K Mean (C-C) = 0.004 A Disorder in main residue R factor = 0.076 wR factor = 0.204 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 10 H 10 N 4 O 4 , the triazine ring is nearly planar. The 1,3-dioxane-4,6-dione ring exhibits a half-chair conformation. The molecule is disordered and the structure has been refined using a split model.