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The structure elucidation of the isomeric mixture of 3-[L-threo-2,3,4-tri -hydroxy-1-(phenyl-hydrazono)butyl] quinoxalin-2(1H)-one in dimethyl sulfoxide solution revisited: experimental and theoretical study
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The structure elucidation of the isomeric mixture of 3-[L-threo-2,3,4-tri -hydroxy-1-(phenyl-hydrazono)butyl] quinoxalin-2(1H)-one in dimethyl sulfoxide solution revisited: experimental and theoretical study

Mohamed A. El-Atawy, Abdelrahman H. Hegazi, Mohamed Al Khalaf and Adel Amer
Structural chemistry, Vol.31(3), pp.1065-1072
01/06/2020
DOI: https://doi.org/10.1007/s11224-019-01445-3

Abstract

Chemistry Chemistry, Multidisciplinary Chemistry, Physical Crystallography Physical Sciences Science & Technology
Based on the analyses of 1D and 2D NMR spectra techniques, such as H-H COSY, HSQC, and HMBC of 3-[L-threo-2,3,4-trihydroxy-1-(phenylhydrazono)butyl]- quinoxalin-2(1H)-one in dimethyl sulfoxide solution, it was concluded that this compound exists as a mixture of two isomeric Z- and E- forms I and II rather than the hydrazine imine and diazeny enamine V tautomers reported earlier. The NMR signals assignment was supported using density functional theory.

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