Crystal structure and Hirshfeld surface analysis of 2,6-bis[1-(prop-2-yn-1-yl)-1 <i>H</i> -benzo[ <i>d</i> ]imidazol-2-yl]pyridine 0.144-hydrate
The title compound, C<sub>25</sub>H<sub>17</sub>N<sub>5</sub>·0.144H<sub>2</sub>O, contains two substituted benzimidazole ring systems bridged over a pyridine ring and a disordered non-coord-inating water mol-ecule. In the crystal, O-H⋯N and C-H⋯O hydrogen-bonding inter-actions link the mol-ecules into infinite chains parallel to [101]. Furthermore, π-π stacking inter-actions between the imidazole rings and between the pyridine and imidazole rings of adjacent mol-ecules with inter-centroid distances of 3.6371 (4), 3.9872 (5), 3.4916 (4) and 3.6648 (4) Å are present, but C-H⋯π(ring) inter-actions are not observed. Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (39.3%), H⋯C/C⋯H (35.9%) and H⋯N/N⋯H (9.1%).
Authors
- Yousri El Barkaoui
- Ahmed Moussaif (ORCID: https://orcid.org/0000-0001-8444-0537)
- Olivier Blacque (ORCID: https://orcid.org/0000-0001-9857-4042)
- Tuncer Hökelek (ORCID: https://orcid.org/0000-0002-8602-4382)
- Hassan Cherkaoui (ORCID: https://orcid.org/0009-0002-9885-2959)
- Mohamed Ait Idar (ORCID: https://orcid.org/0009-0009-2031-8503)
Institutions
- Mohammed V University (MA)
- ZHAW Zurich University of Applied Sciences (CH)
- University of Zurich (CH)
- National Centre for Nuclear Energy, Science and Technology (MA)
- Instituts Supérieurs des Professions Infirmières et Techniques de Santé (MA)
- Hacettepe University (TR)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-11-11
- DOI
- https://doi.org/10.1107/s2056989025009740
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00