Hot stuff: CSD-based co-crystal design
March 27, 2013
We are pleased to announce that a recently published scientific communication involving researchers at the Pfizer Institute of Pharmaceutical Materials Science and CCDC has appeared as a CrystEngComm hot-article. The article summarises exciting results assessing the potential of the Mercury Solid Form Suite’s hydrogen bond propensity tool in screening potential co-crystal formers, and is available to view free of charge for 4 weeks from 20th March.
The article is the second in a series in which the collaborators used the Solid Form Suite to compare the hydrogen bonding potential between molecules of the Active Ingredient (AI) on its own versus potential interactions involving the AI and a second component (a co-crystal former). The results confirmed their hypothesis that highest propensity interactions between AI and co-former signal a favourable configuration over the pure forms on their own, and a cocrystal product is likely. However, if AI-AI interactions are preferred, then a co-crystallisation reaction is not likely to be seen. The authors were also able to hypothesise the occurrence of a salt from as a result of proton transfer between AI and co-former, and predict their occurrence as well.
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