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- W2950080090 abstract "The convulsant compound anisatin has been studied by 1H n.m.r ., and X- ray crystallography, to establish its molecular geometry. The n.m.r . measurements included an analysis of proton-proton vicinal coupling constants and saturation transfer experiments which monitored exchange of the hydroxy groups of anisatin. The former analysis was used to obtain a solution conformation via the Karplus equation while the latter experiments yield information on intramolecular hydrogen bonding. The experimental geometry is compared to that obtained by several theoretical methods, including MINDO/3, MNDO, AM1 and MM2. The AM1 optimized geometry was closest to that of the crystal structure." @default.
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- W2950080090 date "1989-03-07" @default.
- W2950080090 modified "2023-10-15" @default.
- W2950080090 title "ChemInform Abstract: Anisatin: A Crystallographic, NMR and Theoretical Conformation Study" @default.
- W2950080090 cites W2317820399 @default.
- W2950080090 doi "https://doi.org/10.1002/chin.198910353" @default.
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