Crystal structure, Hirshfeld surface analysis, calculations of crystal voids, inter­action energy and energy frameworks as well as density functional theory (DFT) calculations of 3-[2-(morpholin-4-yl)eth­yl]-5,5-di­phenyl­imidazolidine-2,4-dione

Lamssane, H.; Haoudi, A.; Kartah, B.E.; Mazzah, A.; Mague, J.T.; Hökelek, T.; Kandri Rodi, Y.; Sebbar, N.K.

doi:10.1107/S2056989024002445

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 (I) viewed down the b axis, 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 cut-off value of 5 kJ mol-1 within 2×2×2 unit cells.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 80| Part 4| April 2024| Pages 423-429

https://doi.org/10.1107/S2056989024002445

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