Crystal structure, Hirshfeld surface analysis, crystal voids, inter­action energy calculations and energy frameworks, and DFT calculations of 1-(4-methyl­benz­yl)in­do­line-2,3-dione

Rharmili, N.; Abdellaoui, O.; Ouazzani Chahdi, F.; Mague, J.T.; Hökelek, T.; Mazzah, A.; Kandri Rodi, Y.; Sebbar, N.K.

doi:10.1107/S2056989024000756

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 10
The energy frameworks for a cluster of molecules of the title compound, viewed down the a-axis direction, showing (a) electrostatic energy, (b) dispersion energy and (c) total energy diagrams. The cylindrical radius is proportional to the relative strength of the corresponding energies and they were adjusted to the same scale factor of 80 with a cut-off value of 5 kJ mol⁻¹ within 2 × 2 × 2 unit cells.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 80| Part 2| February 2024| Pages 232-239

https://doi.org/10.1107/S2056989024000756

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