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.
A novel solvolytic rearrangement of 2,2-dimethyl-5-(1-Bromomethylethylidene)-1, 3-dioxane-4,6-dione
✍ Scribed by Norman R. Hunter; Nancy A. Green; David M. McKinnon
- Publisher
- Elsevier Science
- Year
- 1980
- Tongue
- French
- Weight
- 179 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0040-4039
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📜 SIMILAR VOLUMES
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.
This work describes the first solid-state structural study of a cyclic enaminone derivative from Meldrum's acid, C 10 H 13 NO 4 . The packing shows an infinite linear chain along [111] mediated by dimeric N-HÁ Á ÁO and nonclassical C-HÁ Á ÁO hydrogen-bonding interactions.
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.