Solid-State Structural Properties of Alloxazine Determined from Powder XRD Data in Conjunction with DFT-D Calculations and Solid-State NMR Spectroscopy: Unraveling the Tautomeric Identity and Pathways for Tautomeric Interconversion

[Image: see text] We report the solid-state structural properties of alloxazine, a tricyclic ring system found in many biologically important molecules, with structure determination carried out directly from powder X-ray diffraction (XRD) data. As the crystal structures containing the alloxazine and...

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Detalles Bibliográficos
Autores principales: Smalley, Christopher J. H., Logsdail, Andrew J., Hughes, Colan E., Iuga, Dinu, Young, Mark T., Harris, Kenneth D. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8739831/
https://www.ncbi.nlm.nih.gov/pubmed/35024003
http://dx.doi.org/10.1021/acs.cgd.1c01114

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