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Issue 17, 2019
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Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process

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Abstract

Four new solvent-free forms and five solvates of the widely-used herbicide nicosulfuron were found. The crystal structures of the reported form II and two new solvates (methanol and acetonitrile) were revealed for the first time. The results showed that nicosulfuron is conformationally flexible and that nine conformations are involved in these three solid forms, leading to different intermolecular interactions and packing patterns. The relationship between the polymorphs and molecular conformations was discussed through crystal structure analyses. In addition, comprehensive characterization of these forms was carried out to study the desolvation process and stability. The results showed that temperature-induced desolvation led to the appearance of new polymorphs, and that the moisture-dependent stability of nicosulfuron improved significantly compared to the marketed form Ia.

Graphical abstract: Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process

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Publication details

The article was received on 06 Dec 2018, accepted on 22 Mar 2019 and first published on 23 Mar 2019


Article type: Paper
DOI: 10.1039/C8CE02074D
Citation: CrystEngComm, 2019,21, 2790-2798

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    Polymorphism and molecular conformations of nicosulfuron: structure, properties and desolvation process

    Y. Liu, L. Jia, S. Wu, S. Xu, X. Zhang, S. Jiang and J. Gong, CrystEngComm, 2019, 21, 2790
    DOI: 10.1039/C8CE02074D

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