Crystal structure, Hirshfeld surface analysis, inter­molecular inter­action energies, energy frameworks and DFT calculations of 4-amino-1-(prop-2-yn-1-yl)pyrimidin-2(1H)-one

Lahyaoui, M.; Haoudi, A.; Kartah, B.E.; Mazzah, A.; Hökelek, T.; Mague, J.T.; Kandri Rodi, Y.; Sebbar, N.K.

doi:10.1107/S2056989023009933

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 8
The full two-dimensional fingerprint plots for the title compound, showing (a) all interactions, and delineated into (b) H⋯H, (c) H⋯C/C⋯H, (d) H⋯O/O⋯H, (e) H⋯N/ N⋯H, (f) C⋯C, (g) C⋯N/N⋯C, (h) N⋯N, (i) C⋯O/O⋯C and (j) N⋯O/O⋯N interactions. The d_i and d_e values are the closest internal and external distances (in Å) from given points on the Hirshfeld surface.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 79| Part 12| December 2023| Pages 1183-1189

https://doi.org/10.1107/S2056989023009933

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