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 5
View of the three-dimensional Hirshfeld surface of (I) plotted over electrostatic potential energy using the STO-3 G basis set at the Hartree–Fock level of theory. Hydrogen-bond donors and acceptors are shown as blue and red regions around the atoms corresponding to positive and negative potentials, respectively.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

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

https://doi.org/10.1107/S2056989024002445

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