Work

Crystal structure and Hirshfeld surface analysis of 2,6-bis[1-(prop-2-yn-1-yl)-1 H -benzo[ d ]imidazol-2-yl]pyridine 0.144-hydrate

Year: 2025

Type: article

Abstract: 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%).

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s2056989025009740

Authors: Mohamed Ait Idar, Yousri El Barkaoui, Tuncer Hökelek, Olivier Blacque, Hassan Cherkaoui, Ahmed Moussaif

Institutions: Mohammed V University, Hacettepe University, University of Zurich, National Centre for Nuclear Energy, Science and Technology

Language: English

Topic: Crystal structures of chemical compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $500

Funder: Hacettepe Üniversitesi