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 5
View of the three-dimensional Hirshfeld surface of the title compound 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 2| February 2024| Pages 232-239

https://doi.org/10.1107/S2056989024000756

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