Abstract
The benzene ring of the title compound, C13H12N2O6, is twisted away from the planes of the aminomethylene unit and the dioxane ring by 30.13 (4) and 35.89 (4)°, respectively. The dioxane ring exhibits a half-boat conformation, in which the C atom between the dioxane O atoms is 0.553 (8) Å out-of-plane. An intramolecular N—H⋯O hydrogen bond stabilizes the conformation of the dioxane ring with the aminomethylene group [the dihedral angle between the mean planes of the dioxane ring and the aminomethylene group is 11.61 (4)°]. In the crystal, a three-dimensional framework is built via weak intermolecular N—H⋯O and C—H⋯O interactions.
Highlights
The benzene ring of the title compound, C13H12N2O6, is twisted away from the planes of the aminomethylene unit and the dioxane ring by 30.13 (4) and 35.89 (4), respectively
H atoms treated by a mixture of independent and constrained refinement max = 0.22 e Å3
The molecular structure of the title compound, with displacement ellipsoids drawn at the 30% probability level
Summary
State Key Laboratory of Biotherapy, West China Hospital, Sichuan University, Chengdu 610041, People’s Republic of China. H atoms treated by a mixture of independent and constrained refinement max = 0.22 e Å3. The benzene ring of the title compound, C13H12N2O6, is twisted away from the planes of the aminomethylene unit and the dioxane ring by 30.13 (4) and 35.89 (4) , respectively. The dioxane ring exhibits a half-boat conformation, in which the C atom between the dioxane O atoms is 0.553 (8) Å out-ofplane. An intramolecular N—H O hydrogen bond stabilizes the conformation of the dioxane ring with the aminomethylene group [the dihedral angle between the mean planes of the dioxane ring and the aminomethylene group is 11.61 (4) ]. A three-dimensional framework is built via weak intermolecular N—H O and C—H O interactions
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