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.

ABSTRACT: The title compound, C₂₅H₁₇N₅·0.144H₂O, 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%

SUBMITTER: Ait Idar M 

PROVIDER: S-EPMC12810291 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature