Journal of Molecular Structure p. 279 - 286 (1987)
Update date:2022-08-11
Topics:
Lin, Shu-Kun
Cong, Qiu-Zhi
2-Methyl-3-carboethoxyquinoxaline 1,4-dioxide (MCQO) was prepered and single crystals were grown out of the reaction mixture.The structure of MCQO was established by single-crystal X-ray crystallography using a direct method.The crystals are triclinic, space group P<*>, with a = 6.928(1), b = 8.109(1), c = 10.552(1) angstroem, α = 83.445(8), β = 85.681(10), γ = 79.168(8) deg, V = 577.7 angstroem3, Z = 2 and Dc = 1.428 g cm-3.The structure was refined to R = 0.059 for 1454 reflections.The planar geometry of the parent quinoxaline ring is consistent with the aromaticity of the condensed heterocyclic system in the compound.The average N-O bond length is 1.297(5) angstroem, indicating a certain double-bond character.The X-ray analysis corroborates IR, NMR, and ESR spectroscopic evidence for the structure of this type of heteroaromatic N-oxides.
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