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

IUCr IT WDC

home archive editors for authors for readers submit open access

view article

Figure 4
View of the three-dimensional Hirshfeld surface of the title compound plotted over electrostatic potential energy in the range from −0.0500 to 0.0500 a.u., using the STO-3G basis set at the Hartree–Fock level of theory.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 79| Part 10| October 2023| Pages 883-889

https://doi.org/10.1107/S2056989023007557

Open

access

Follow Acta Cryst. E

Search IUCr Journals		doi		Advanced search
Author		volume	page