R. Stark, L. Jelinski, D. Ruben
Nov 1, 1983
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0
Influential Citations
62
Citations
Journal
Journal of Magnetic Resonance
Abstract
Abstract The 13 C chemical shift and 13 C- 15 N dipolar tensors have been determined for single crystals of the dipeptide [1- 13 C]glycyl[ 15 N]glycine·HCl·H 2 O. The 13 C chemical shift tensor is axially asymmetric with σ 11 , σ 22 , and σ 33 values of −115.6, −48.6, and 40.6 ppm, respectively, from benzene. The σ 22 component lies approximately along the carbonyl bond and the most shielded component, σ 33 , is perpendicular to the plane defined by the amide oxygen, carbon, and nitrogen. Dipolar splittings in NMR spectra of the doubly labeled material also allow determination of a C-N bond length, yielding a value of 1.39 A which is in good agreement with previous X-ray crystallographic studies.