Sulfathiazole polymorphism studied by magic-angle spinning NMR

D C Apperley, R A Fletton, R K Harris, R W Lancaster, S Tavener, T L Threlfall

Research output: Contribution to journalArticlepeer-review

Abstract

The literature on sulfathiazole polymorphs has many confusions and inconsistencies. These are largely resolved by the distinctive appearance of C-13 magic-angle spinning NMR spectra, which immediately show the number of molecules in the crystallographic asymmetric unit. The spectra presented include those of a newly-recognized form. The assignments of the spectra are established and discussed in relation to such factors as electronic structure of the aromatic ring, second-order quadrupolar effects originating from the nitrogen nuclei, and hydrogen bonding. The results are compared to literature information on the crystal structures. When the amino group acts as a hydrogen bond acceptor, there is a shielding effect on C-4 to the extent of ca. 8 ppm (which should be compared to a further shielding by ca. 10 ppm for sulfathiazole sulfate). The fact that the spectrum of form III is similar to the sum of those of forms IV and V is rationalized in relation to the crystal structures. Some surprising variability of spectra with temperature and with specific sample is reported.

Original languageEnglish
Pages (from-to)1275-1280
Number of pages6
JournalJournal of pharmaceutical sciences
Volume88
Issue number12
Publication statusPublished - Dec 1999

Keywords

  • PHASE

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