Abstract
Sulfathiazole shows one of the most extensive solid-form landscapes known to date for an active pharmaceutical ingredient. A standardised structure set of 5 polymorphs, 59 co-crystals, 29 salts, and 3 other structures is established.
Highlights
The extensive SLFZ set provides a challenge for systematic geometrical comparison of crystal structures, and some observations are made on the methodology and consistency of the applied programs
One compound that we have studied extensively is sulfathiazole (SLFZ), a well-known active pharmaceutical ingredient (API; Scheme 1).[25,26,27]
The new crystallographic data presented in this paper, combined with existing structures in the CSD, establishes a set of 96 crystal structures containing the active pharmaceutical ingredient (API) sulfathiazole (SLFZ)
Summary
Synergy between CSP and experimental studies has been PaperCrystEngComm realised in some cases,[18,19,20] and the long-term potential for application of machine learning and artificial intelligence to the design of solid forms is clear.[21,22,23,24]In this context, one compound that we have studied extensively is sulfathiazole (SLFZ), a well-known active pharmaceutical ingredient (API; Scheme 1).[25,26,27] Whilst in search of reliable crystallisation procedures for the SLFZ polymorphs, an extensive solvent-screening exercise was carried out, which yielded over 100 crystalline solvates.[28]. Closely-related 1-D SCs comprising translated SLFZ molecules linked by hydrogen bonds are found in one polymorph and almost half of the multi-component set.
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