Abstract
The benzyl ring of the title compound, C17H15NO4, is twisted away from the plane defined by five atoms of the dioxane ring by 34.83 (4)°. The dioxane ring exhibits a half-boat conformation, with the C atom between the dioxane O atoms 0.571 (8) Å out of the plane through the remainder of the ring. An intramolecular N—H⋯O hydrogen bond may contribute to the stabilization of the planar conformation of the molecule. In the crystal, inversion dimers linked by pairs of C—H⋯O bonds occur.
Highlights
The benzyl ring of the title compound, C17H15NO4, is twisted away from the plane defined by five atoms of the dioxane ring by 34.83 (4)
An intramolecular N—HÁ Á ÁO hydrogen bond may contribute to the stabilization of the planar conformation of the molecule
Inversion dimers linked by pairs of C—HÁ Á ÁO bonds occur
Summary
Key indicators: single-crystal X-ray study; T = 153 K; mean (C–C) = 0.002 A; R factor = 0.040; wR factor = 0.110; data-to-parameter ratio = 15.5. The benzyl ring of the title compound, C17H15NO4, is twisted away from the plane defined by five atoms of the dioxane ring by 34.83 (4). The dioxane ring exhibits a half-boat conformation, with the C atom between the dioxane O atoms 0.571 (8) Aout of the plane through the remainder of the ring. An intramolecular N—HÁ Á ÁO hydrogen bond may contribute to the stabilization of the planar conformation of the molecule. Inversion dimers linked by pairs of C—HÁ Á ÁO bonds occur. Related literature For the synthesis of related compounds, see: Cassis et al (1985). For the pharmacological activity of 4(1H)-quinolone structures, see: Ruchelman et al (2003)
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