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Laihia, Katri; Kolehmainen, Erkki; Virtanen, Elina; Nissinen, Maija; Puszko, Aniela; Talik, Zofia
Magnetic resonance in chemistry, 09/2003, Letnik: 41, Številka: 9Journal Article
The 1H, 13C and 15N NMR spectra in DMSO‐d6 were measured for eight nitraminopyridine N‐oxides, ten 4‐nitropyridine N‐oxides, four 2‐nitraminopyridines and five 4‐nitropyridines. Their chemical shift assignments are based on PFG 1H,X (X = 13C and 15N) HMQC and HMBC experiments. The relative energies for the tautomers of two nitraminopyridine N‐oxides were determined by ab initio HF/6–311G** calculations. A single‐crystal x‐ray structural analysis was made for 4‐methyl‐2‐nitraminopyridine: C6H7O2N3, M = 153.15, triclinic, space group P‐1 (No. 2), a = 7.0275(4), b = 6.8034(3), c = 8.6086(5) Å, α = 103.620(2), β = 90.309(2), γ = 122.215(3)°, V = 334.11(3) Å3, Z = 2. Copyright © 2003 John Wiley & Sons, Ltd.
