Effects of polymorphic differences for sulfanilamide, as seen through C-13 and N-15 solid-state NMR, together with shielding calculations

Portieri, Alessia, Harris, Robin K., Fletton, Richard A., Lancaster, Robert W. and Threlfall, Terence L. (2004) Effects of polymorphic differences for sulfanilamide, as seen through C-13 and N-15 solid-state NMR, together with shielding calculations. Magnetic Resonance in Chemistry, 42 (3), 313-320. (doi:10.1002/mrc.1351).

Abstract

We recorded both carbon-13 and nitrogen-15 NMR spectra of the three solid forms of sulfanilamide most commonly known. This study led to an interpretation of the solid-state effects seen in cross-polarization magic angle spinning spectra. Relaxation times for the different forms were measured. These show different behaviour for the three forms, arising from mobility variations. To obtain information on local environments, static spectra and spinning sideband manifolds were recorded and analysed for the N-15 resonances, using isotopically enriched samples. Shielding asymmetries and anisotropies for the two nitrogen nuclei were obtained, showing very different behaviour for the two sites. Shielding calculations were carried out for both C-13 and N-15 nuclei, and the results are discussed in relation to the experimental values.

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