Crystal structure, Hirshfeld surface analysis and inter­action energy calculation of 4-(furan-2-yl)-2-(6-methyl-2,4-dioxo­pyran-3-yl­idene)-2,3,4,5-tetra­hydro-1H-1,5-benzodiazepine

El Hafi, M.; Lahmidi, S.; El Ghayati, L.; Hökelek, T.; Mague, J.T.; Amer, B.; Sebbar, N.K.; Essassi, E.M.

doi:10.1107/S2056989021007441

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 −0.3842 to 1.4934 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 and (c) Hirshfeld surface of the title compound plotted over shape-index.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 77| Part 8| August 2021| Pages 834-838

https://doi.org/10.1107/S2056989021007441

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