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

01 June 2020, Version 1
Working Paper
This content is an early or alternative research output and has not been peer-reviewed by Cambridge University Press at the time of posting.

Abstract

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.

Keywords

Nicotinamide, polymorphism, melt crystallization, crystal structure prediction, single-crystal structure

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Now Published

Rich polymorphism in nicotinamide revealed by melt crystallization and crystal structure prediction [opens in a new tab]
Xizhen Li, Xiao Ou, Bingquan Wang, Haowei Rong, Bing Wang, Chao Chang, Baimei Shi, Lian Yu, Ming Lu journal article
Communications Chemistry , Volume 3, Issue 1
Online publication date: Nov 04, 2020

Version History

Jun 01, 2020 Version 1

Version Notes

May 29, 2020.

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The content is available under CC BY NC ND 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv.12387452.v1
D O I: 10.26434/chemrxiv.12387452.v1 [opens in a new tab]

Funding

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)

Author’s competing interest statement

The authors declare no conflicts of interest.

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