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- Title
Mechanistic In Situ and Ex Situ Studies of Phase Transformations in Molecular Co‐Crystals.
- Authors
Clout, Alexander E.; Buanz, Asma B. M.; Pang, Yuying; Tsui, Wing‐Mei; Yan, Dongpeng; Parkinson, Gary; Prior, Timothy J.; Bučar, Dejan‐Krešimir; Gaisford, Simon; Williams, Gareth R.
- Abstract
Co‐crystallisation is widely explored as a route to improve the physical properties of pharmaceutical active ingredients, but little is known about the fundamental mechanisms of the process. Herein, we apply a hyphenated differential scanning calorimetry—X‐ray diffraction technique to mimic the commercial hot melt extrusion process, and explore the heat‐induced synthesis of a series of new co‐crystals containing isonicotinamide. These comprise a 1:1 co‐crystal with 4‐hydroxybenzoic acid, 2:1 and 1:2 systems with 4‐hydroxyphenylacetic acid and a 1:1 crystal with 3,4‐dihydroxyphenylactic acid. The formation of co‐crystals during heating is complex mechanistically. In addition to co‐crystallisation, conversions between polymorphs of the co‐former starting materials and co‐crystal products are also observed. A subsequent study exploring the use of inkjet printing and milling to generate co‐crystals revealed that the synthetic approach has a major effect on the co‐crystal species and polymorphs produced.
- Subjects
PHASE transitions; DIFFERENTIAL scanning calorimetry; MELT spinning; NICOTINAMIDE; EXTRUSION process; X-ray diffraction
- Publication
Chemistry - A European Journal, 2020, Vol 26, Issue 64, p14645
- ISSN
0947-6539
- Publication type
Article
- DOI
10.1002/chem.202002267