Crystal structure and Hirshfeld surface analyses, interaction energy calculations and energy frameworks of 2-(anthracen-10-yl)-1 <i>H</i> -benzo[ <i>d</i> ]imidazole
The benzimidazole and anthracene moieties in the title compound, C<sub>21</sub>H<sub>14</sub>N<sub>2</sub>, are oriented at a dihedral angle of 46.00 (2)°. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into infinite chains along the <i>b</i>-axis direction. In addition, C-H⋯π inter-actions contribute to the consolidation of the packing. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (47.2%) and H⋯/C⋯H (39.4%) inter-actions. An energy-framework calculation indicates that the electrostatic and dispersion energies are the most important contributors to the packing.
Authors
- Naser Eltaher Eltayeb (ORCID: https://orcid.org/0000-0002-4239-7347)
- Aidan P. McKay (ORCID: https://orcid.org/0000-0002-8578-7054)
- Jamal Lasri (ORCID: https://orcid.org/0000-0002-8949-8698)
- Yaseen A. Almehmadi
Institutions
- University of St Andrews (GB)
- King Abdulaziz University (SA)
- International University of Africa (SD)
- Hacettepe University (TR)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2026-01-20
- DOI
- https://doi.org/10.1107/s2056989025011594
- Primary Topic
- Crystallography and molecular interactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00