Utilizing Hirshfeld surface calculations, non-covalent inter­action (NCI) plots and the calculation of inter­action energies in the analysis of mol­ecular packing

Tan, S.L.; Jotani, M.M.; Tiekink, E.R.T.

doi:10.1107/S2056989019001129

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 2
A view of the Hirshfeld surface for (I) mapped over the calculated electrostatic potential in the range −0.077 to +0.056 atomic units (the red and blue regions represent negative and positive electrostatic potentials, respectively).

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 75| Part 3| March 2019| Pages 308-318

https://doi.org/10.1107/S2056989019001129

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