Abstract
In the title compound, C15H15NO5, the six-membered dioxane ring assumes an envelope conformation with the dimethyl substituted C atom as the flap atom. An intramolecular N—H⋯O interaction is also present. In the crystal structure the molecules are linked via C—H⋯O hydrogen bonds into supramolecular chains along the b axis.
Highlights
In the title compound, C15H15NO5, the six-membered dioxane ring assumes an envelope conformation with the dimethyl substituted C atom as the flap atom
In the crystal structure the molecules are linked via C—HÁ Á ÁO hydrogen bonds into supramolecular chains along the b axis
= 86.03 (4) V = 712.0 (5) A 3 Z=2 Mo K radiation = 0.10 mmÀ1 T = 292 K 0.44 Â 0.36 Â 0.32 mm 1399 reflections with I > 2(I) Rint = 0.008 3 standard reflections every 100 reflections intensity decay: 1.8%
Summary
Key indicators: single-crystal X-ray study; T = 292 K; mean (C–C) = 0.004 A; R factor = 0.064; wR factor = 0.179; data-to-parameter ratio = 13.3. C15H15NO5, the six-membered dioxane ring assumes an envelope conformation with the dimethyl substituted C atom as the flap atom. An intramolecular N— HÁ Á ÁO interaction is present. In the crystal structure the molecules are linked via C—HÁ Á ÁO hydrogen bonds into supramolecular chains along the b axis. Related literature For the biological activity of 4(1H)-quinolone structures, see: Ruchelman et al (2003). 5-Arylaminomethylene-2,2-dimethyl1,3-dioxane-4,6-diones are key intermediates in the synthesis of 4(1H)quinolone derivatives by thermolysis (Cassis et al, 1985) Related literature For the biological activity of 4(1H)-quinolone structures, see: Ruchelman et al (2003). 5-Arylaminomethylene-2,2-dimethyl1,3-dioxane-4,6-diones are key intermediates in the synthesis of 4(1H)quinolone derivatives by thermolysis (Cassis et al, 1985)
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