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N7- and N9-substituted purine derivatives: a 15N NMR study

✍ Scribed by Radek Marek; Jiří Brus; Jaromír Toušek; Lajos Kovács; Dana Hocková

Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
356 KB
Volume
40
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

The ^15^N NMR chemical shifts of N^7^‐ and N^9^‐substituted purine derivatives were investigated systematically at the natural abundance level of the ^15^N isotope. The NMR chemical shifts were determined and assigned using GSQMBC, GHMBC, GHMQC and GHSQC experiments in solution. ^15^N cross‐polarization magic angle spinning data were recorded for selected compounds in order to study the principal values of the ^15^N chemical shifts. Geometric parameters obtained by using RHF/6–31G** and single‐crystal x‐ray structural analysis were used to calculate the chemical‐shielding constants (GIAO and IGLO) which were then used to assign the nitrogen resonances observed in the solid‐state NMR spectra and to determine the orientation of the principal components of the shift tensors. Copyright © 2002 John Wiley & Sons, Ltd.

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