Nicotinamide: Seven New Polymorphic Structures Revealed by Melt Crystallization and Crystal Structure Prediction
Xizhen Li, Xiao Ou, Bingquan Wang, Haowei Rong, Bing Wang, Chao Hsi Chang, Baimei Shi, Lian Yu, Ming Lü · ChemRxiv · 2020
Here, we reported nicotinamide (NIC), a long-known vitamin, was revealed in fact to be a highly polymorphic compound with nine solved single-crystal structures by performing melt crystallization. A CSP calculation successfully identified all six Z’ = 1 and 2 experimental structures. Melt crystallization has turned out to be an efficient tool for exploring polymorphic landscape, especially in regions inaccessbile by solution crystallization.