Crystal structure, Hirshfeld surface analysis, crystal voids, inter­action energy calculations and energy frameworks and DFT calculations of ethyl 2-cyano-3-(3-hy­droxy-5-methyl-1H-pyrazol-4-yl)-3-phen­yl­propano­ate

Ait Elmachkouri, Y.; Irrou, E.; El Monfalouti, H.; Mazzah, A.; Hökelek, T.; Mague, J.T.; Taha, M.L.; Sebbar, N.K.

doi:10.1107/S2056989024000744

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 8
The Hirshfeld surface representations with the function fragment patch plotted onto the surface for (a) H⋯H, (b) H⋯N/N⋯H, (c) H ⋯ C/C⋯H and (d) H⋯O/O⋯H interactions.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 80| Part 2| February 2024| Pages 240-246

https://doi.org/10.1107/S2056989024000744

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