Can we trust the experiment? Anisotropic dis­placement parameters in 1-(halometh­yl)-3-nitro­benzene (halogen = Cl or Br)

1-(Chloro­meth­yl)-3-nitro­benzene, C(7)H(6)NClO(2), and 1-(bromo­meth­yl)-3-nitro­benzene, C(7)H(6)NBrO(2), were chosen as test compounds for benchmarking anisotropic displacement parameters (ADPs) calculated from first principles in the harmonic approximation. Crystals of these compounds are isomo...

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Detalles Bibliográficos
Autores principales: Mroz, Damian, Wang, Ruimin, Englert, Ulli, Dronskowski, Richard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7273188/
https://www.ncbi.nlm.nih.gov/pubmed/32499457
http://dx.doi.org/10.1107/S2053229620006221

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7273188/
https://www.ncbi.nlm.nih.gov/pubmed/32499457
http://dx.doi.org/10.1107/S2053229620006221

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