Crystal structure, Hirshfeld surface analysis and density functional theory study of 6-methyl-2-[(5-methyl­isoxazol-3-yl)meth­yl]-1H-benzimidazole

Idrissi, A.; Chkirate, K.; Abad, N.; Djerrari, B.; Achour, R.; Essassi, E.M.; Van Meervelt, L.

doi:10.1107/S2056989021002723

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 3
(a) View of the three-dimensional Hirshfeld surface of the title compound, plotted over d_norm in the range −0.6149 to 1.3177 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 4| April 2021| Pages 396-401

https://doi.org/10.1107/S2056989021002723

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