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Effects of polymorphic differences for sulfanilamide, as seen through 13 C and 15 N solid‐state NMR, together with shielding calculations
Author(s) -
Portieri Alessia,
Harris Robin K.,
Fletton Richard A.,
Lancaster Robert W.,
Threlfall Terence L.
Publication year - 2004
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1351
Subject(s) - chemistry , spectral line , anisotropy , electromagnetic shielding , nmr spectra database , carbon 13 nmr satellite , analytical chemistry (journal) , nitrogen , solid state nuclear magnetic resonance , magic angle spinning , relaxation (psychology) , nuclear magnetic resonance , nuclear magnetic resonance spectroscopy , molecular physics , atomic physics , fluorine 19 nmr , stereochemistry , physics , organic chemistry , psychology , social psychology , quantum mechanics , astronomy
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 15 N 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 13 C and 15 N nuclei, and the results are discussed in relation to the experimental values. Copyright © 2004 John Wiley & Sons, Ltd.