Abstract

In the title compound, C13H11ClN2O6, the dihedral angles between the benzene ring and the amino­methyl­ene unit and between the amino­methyl­ene group and the dioxane ring are 8.19 (14) and 1.39 (17)°, respectively. The dioxane ring has a half-boat conformation, in which the C atom between the dioxane O atoms is 0.662 (4)Å out of the plane through the remaining ring atoms. Intra­molecular N—H⋯O and N—H⋯Cl inter­actions occur.

Highlights

  • C13H11ClN2O6, the dihedral angles between the benzene ring and the aminomethylene unit and between the aminomethylene group and the dioxane ring are 8.19 (14) and 1.39 (17), respectively

  • Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BQ2269)

  • Uiso*/Ueq 0.05062 (18) 0.0446 (4) 0.0469 (4) 0.0517 (4) 0.0509 (4) 0.0855 (6) 0.0910 (6) 0.0592 (5) 0.0360 (4) 0.043* 0.0432 (5) 0.0431 (5) 0.052* 0.0377 (4) 0.0337 (4) 0.0421 (5) 0.051* 0.0455 (5) 0.055* 0.0336 (4) 0.040* 0.0328 (4) 0.0373 (4) 0.0437 (5) 0.0359 (4) 0.0656 (7) 0.098* 0.098* 0.098* 0.0695 (7) 0.104* 0.104* 0.104*

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Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.003 A; R factor = 0.041; wR factor = 0.104; data-to-parameter ratio = 14.2. C13H11ClN2O6, the dihedral angles between the benzene ring and the aminomethylene unit and between the aminomethylene group and the dioxane ring are 8.19 (14) and 1.39 (17), respectively. The dioxane ring has a half-boat conformation, in which the C atom between the dioxane O atoms is 0.662 (4)Aout of the plane through the remaining ring atoms. Intramolecular N—HÁ Á ÁO and N— HÁ Á ÁCl interactions occur. Related literature For the synthesis of related compounds, see: Cassis et al (1985). For the biological activity of related compounds, see: Griera et al (1997); Darque et al (2009).

Oxford Diffraction Xcalibur Eos diffractometer
DÁ Á ÁA
Crystal data
Special details

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