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Nicotinamide - Seven new polymorphic structures revealed by melt crystallization and crystal structure prediction .pdf (11.39 MB)

Nicotinamide: Seven New Polymorphic Structures Revealed by Melt Crystallization and Crystal Structure Prediction

submitted on 29.05.2020, 15:05 and posted on 01.06.2020, 14:09 by Xizhen Li, Xiao Ou, Bingquan Wang, Haowei Rong, Bing Wang, Chao Chang, Baimei Shi, Lian Yu, Ming Lu

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.


Guangdong Basic and Applied Basic Research Foundation (No. 2020A151501782)

Natural Science Foundation of Guangdong Province (No. 2018A030313335 and No. 2016A030312013)

Guangdong Provincial Key Laboratory of Construction Foundation (No. 2017B030314030)


Email Address of Submitting Author


Sun Yat-sen University



ORCID For Submitting Author


Declaration of Conflict of Interest

The authors declare no conflicts of interest.

Version Notes

May 29, 2020.