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 3
(a) Scatter plot of the experimental main-axis components derived from data set 1a versus the experimental main-axis components derived from data set 2a. (b) Analogous to the scatter plot in part (a), but now correlating theoretical results for 1 with those for 2. The main axes components of the C atoms are highlighted in red. All other atoms are portrayed in blue.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

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

https://doi.org/10.1107/S2053229620006221

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