Damian Mroz, Ruimin Wang, U. Englert
May 20, 2020
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Influential Citations
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Journal
Acta Crystallographica. Section C, Structural Chemistry
Abstract
Anisotropic displacement parameters for the isomorphous compounds 1-(halomethyl)-3-nitrobenzene (halo = chloro and bromo) were calculated from first principles and determined by X-ray diffraction experiments. Unexpectedly, the experiment for the bromo compound proved more challenging than theory.