Stereoisomers of oxime ethers of 1,4-naphthoquinone: Synthesis, characterization, X-ray crystal structures, and DFT studies

•The oxime ether derivatives of 1,4-naphthoquinones are reported for the first time.•1H NMR reveals a mixture of stereoisomers.•DFT studies optimize the stereoisomers.•X-ray shows ‘amphi’ is major and ‘syn’ is minor isomer. In the present work, we use the C-3 substituted 2-hydroxy-1,4-naphthoquinone...

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Veröffentlicht in:	Journal of molecular structure 2024-09, Vol.1312 (P2), p.138598, Article 138598
Hauptverfasser:	Mokashi, Vivek, Salunke-Gawali, Sunita, Shewale, Maneesha, Gejji, Shridhar P., Butcher, Ray J.
Format:	Artikel
Sprache:	eng
Schlagworte:	DFT Hydrogen bonding Naphthoquinone Naphthoquinoneoxime Stereoisomers
Online-Zugang:	Volltext
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