Abstract
In the title compound, C13H12BrNO4, the dihedral angles between the aminomethylene group and the dioxane ring and between the benzyl ring and the aminomethylene unit are 7.96 (4) and 12.15 (4)°, respectively. The dioxane ring shows a half-boat conformation, in which the C atom between the dioxane ring O atoms is 0.460 (8) Å out of the plane through the remaining ring atoms. An intramolecular N—H⋯O hydrogen bond may stabilize the planar conformation of the molecule. An intermolecular C—H⋯O interaction is also present.
Highlights
C13H12BrNO4, the dihedral angles between the aminomethylene group and the dioxane ring and between the benzyl ring and the aminomethylene unit are 7.96 (4) and 12.15 (4), respectively
R–factors based on F2 are statistically about twice as large as those based on F, and R–factors based on ALL data will be even larger
Summary
C13H12BrNO4, the dihedral angles between the aminomethylene group and the dioxane ring and between the benzyl ring and the aminomethylene unit are 7.96 (4) and 12.15 (4), respectively. The dioxane ring shows a half-boat conformation, in which the C atom between the dioxane ring O atoms is 0.460 (8) Aout of the plane through the remaining ring atoms. An intramolecular N—HÁ Á ÁO hydrogen bond may stabilize the planar conformation of the molecule. Related literature For the synthesis of related compounds, see: Cassis et al (1985). For the synthesis of related antitumor precursors, see: Ruchelman et al (2003). For the crystal structures of related 5–arylaminomethylene–2,2–dimethyl–1,3–dioxane–4,6–dione derivatives, see: Li et al (2009a,b,c)
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