Energetics of interactions in the solid state of 2-hydroxy-8-X-quinoline derivatives (X = Cl, Br, I, S-Ph): comparison of Hirshfeld atom, X-ray wavefunction and multipole refinements

In this work, two methods of high-resolution X-ray data refinement: multipole refinement (MM) and Hirshfeld atom refinement (HAR) – together with X-ray wavefunction refinement (XWR) – are applied to investigate the refinement of positions and anisotropic thermal motion of hydrogen atoms, experiment-...

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Detalles Bibliográficos
Autores principales: Woinska, Magdalena, Wanat, Monika, Taciak, Przemyslaw, Pawinski, Tomasz, Minor, Wladek, Wozniak, Krzysztof
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6760436/
https://www.ncbi.nlm.nih.gov/pubmed/31576220
http://dx.doi.org/10.1107/S2052252519007358

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6760436/
https://www.ncbi.nlm.nih.gov/pubmed/31576220
http://dx.doi.org/10.1107/S2052252519007358

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