Crystal structure, Hirshfeld surface analysis, inter­action energy and DFT calculations and energy frameworks of methyl 6-chloro-1-methyl-2-oxo-1,2-di­hydro­quinoline-4-carboxyl­ate

Filali Baba, Y.; Hayani, S.; Dalbouha, S.; Hökelek, T.; Ouazzani Chahdi, F.; Mague, J.T.; Kandri Rodi, Y.; Sebbar, N.K.; Essassi, E.M.

doi:10.1107/S2056989022002912

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 4
(a) View of the three-dimensional Hirshfeld surface of the title compound, plotted over d_norm in the range of −0.2172 to 0.9151 a.u.; (b) view of the three-dimensional Hirshfeld surface of the title compound plotted over electrostatic potential energy in the range −0.0500 to 0.0500 a.u. using the STO-3 G basis set at the Hartree–Fock level of theory; (c) Hirshfeld surface of the title compound plotted over shape-index.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 78| Part 4| April 2022| Pages 425-432

https://doi.org/10.1107/S2056989022002912

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