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

Mroz, D.; Wang, R.; Englert, U.; Dronskowski, R.

doi:10.1107/S2053229620006221

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

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Figure 2
Scatter plots of the theoretical and experimental main-axis components U_x (x = 1, 2 or 3) with linear fits and coefficients of determination (CODs) for 100 K in the harmonic approximation. The superscript notation `exp' denotes experimental values and `theo' stands for theoretical values. (a) Plot for compound 1, data set 1a. (b) Plot for compound 2, data set 2a.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 76| Part 6| June 2020| Pages 591-597

https://doi.org/10.1107/S2053229620006221

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