Crystal structure, Hirshfeld surface analysis, inter­action energy and energy framework calculations, as well as density functional theory (DFT) com­putation, of methyl 2-oxo-1-(prop-2-yn­yl)-1,2-di­hydro­quinoline-4-carboxyl­ate

El-Mrabet, A.; Haoudi, A.; Dalbouha, S.; Skalli, M.K.; Hökelek, T.; Capet, F.; Kandri Rodi, Y.; Mazzah, A.; Sebbar, N.K.

doi:10.1107/S2056989023007557

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 8
The energy frameworks, viewed down the c axis, for a cluster of molecules of the title compound, showing the (a) electrostatic energy, (b) dispersion energy and (c) total energy diagrams, where the b axis is vertical and the c axis is horizontal. The cylindrical radius is proportional to the relative strength of the corresponding energies and was 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 79| Part 10| October 2023| Pages 883-889

https://doi.org/10.1107/S2056989023007557

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