Crystal structure, Hirshfeld surface analysis and DFT study of N-(2-amino-5-methyl­phen­yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide

Al Ati, G.; Chkirate, K.; Mague, J.T.; Abad, N.; Achour, R.; Essassi, E.M.

doi:10.1107/S205698902100503X

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 −0.6149 to 1.3177 a.u. (b) View of the three-dimensional Hirshfeld surface of the title compound plotted over the 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 6| June 2021| Pages 638-642

https://doi.org/10.1107/S205698902100503X

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