Powder diffraction and crystal structure prediction identify four new coumarin polymorphs

Coumarin, a simple, commodity chemical isolated from beans in 1820, has, to date, only yielded one solid state structure. Here, we report a rich polymorphism of coumarin grown from the melt. Four new metastable forms were identified and their crystal structures were solved using a combination of com...

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Publicat a:Chem Sci
Autors principals: Shtukenberg, Alexander G., Zhu, Qiang, Carter, Damien J., Vogt, Leslie, Hoja, Johannes, Schneider, Elia, Song, Hongxing, Pokroy, Boaz, Polishchuk, Iryna, Tkatchenko, Alexandre, Oganov, Artem R., Rohl, Andrew L., Tuckerman, Mark E., Kahr, Bart
Format: Artigo
Idioma:Inglês
Publicat: Royal Society of Chemistry 2017
Matèries:
Chemistry
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5607859/
https://ncbi.nlm.nih.gov/pubmed/28959416
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7sc00168a
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