Crystal structure, Hirshfeld surface analysis and density functional theory study of benzyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-di­hydro­quinoline-4-carboxyl­ate

Bouzian, Y.; Chkirate, K.; Mague, J.T.; Al-Ostoot, F.H.; Hammou Ahabchane, N.; Essassi, E.M.

doi:10.1107/S2056989021007416

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 −0.3677 to 1.3896 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.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 77| Part 8| August 2021| Pages 824-828

https://doi.org/10.1107/S2056989021007416

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