ArticleCommunications chemistry2020
Rich polymorphism in nicotinamide revealed by melt crystallization and crystal structure prediction.
Article in Communications chemistry, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
- Short Sb···Sb Contacts in Polymorphic Tris(p-Tolyl)Antimony: A Hallmark of Organoantimony(III) Solid-State Chemistry?Angewandte Chemie (International ed. in English) · 2026Article
- MolCryst-MLIPs: A Machine-Learned Interatomic Potentials Database for Molecular Crystals.Journal of chemical theory and computation · 2026Article
- Assessing crystallisation behaviour in molecular crystals through particle rugosities.Communications chemistry · 2026Article
- Isomorphism in a Series of Five Homologous Compounds.Crystal growth & design · 2026Article
- Four polymorphic structures of a symmetric azo dye.CrystEngComm · 2026Article
- A Conceptual Framework for the Crystallizability of Organic Compounds.Journal of the American Chemical Society · 2025Article
- Polymorphism and Phase-Transition Thermodynamic Properties of Phenazone (Antipyrine).Molecules (Basel, Switzerland) · 2025Article
- Polymorphic ROYalty: The 14th ROY Polymorph Discovered via High-Throughput Crystallization.Journal of the American Chemical Society · 2025Article
- Machine Learning Classification of Local Environments in Molecular Crystals.Journal of chemical theory and computation · 2024Article
- Solvent-induced polymorphism in dipodal N-donor ligands containing a biphenyl core.RSC advances · 2023Article
- Polymorphs of SubstitutedACS omega · 2023Article
- Controlling the crystal structure of succinic acidRSC advances · 2023Article
- Zwitterionic or Not? Fast and Reliable Structure Determination by Combining Crystal Structure Prediction and Solid-State NMR.Molecules (Basel, Switzerland) · 2023Article
- Direct structure determination of vemurafenib polymorphism from compact spherulites using 3D electron diffraction.Communications chemistry · 2023Article
- Role of Heteronucleants in Melt Crystallization of Crystalline Solid Dispersions.Crystal growth & design · 2023Article
- Solvent-Mediated Polymorphic Transformations in Molten Polymers: The Account of Acetaminophen.Molecular pharmaceutics · 2022Article
- Indomethacin Polymorph δ Revealed To Be Two Plastically Bendable Crystal Forms by 3D Electron Diffraction: Correcting a 47-Year-Old Misunderstanding.Angewandte Chemie (International ed. in English) · 2022Article
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9 authors.
Funding
Abstract
Overprediction is a major limitation of current crystal structure prediction (CSP) methods. It is difficult to determine whether computer-predicted polymorphic structures are artefacts of the calculation model or are polymorphs that have not yet been found. Here, we reported the well-known vitamin nicotinamide (NIC) to be a highly polymorphic compound with nine solved single-crystal structures determined by performing melt crystallization. A CSP calculation successfully identifies all six Z' = 1 and 2 experimental structures, five of which defy 66 years of attempts at being explored using solution crystallization. Our study demonstrates that when combined with our strategy for cultivating single crystals from melt microdroplets, melt crystallization has turned out to be an efficient tool for exploring polymorphic landscapes to better understand polymorphic crystallization and to more effectively test the accuracy of theoretical predictions, especially in regions inaccessible by solution crystallization.
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