Crystal structure demonstrates hydrogen bonding and stacking interactions in a chloroimidazole derivative, suggesting stability.
The structure of the title compound, C 18 H 15 ClN 4 , was determined at low temperature (100 K). In the crystal, the molecules are connected through C—H...N and C—H...Cl intermolecular hydrogen bonds generating a network that extend along the [010] direction. In addition, C—H...π and π–π stacking interactions as well as intermolecular contacts contribute to the cohesion of the structure. Hirshfeld surface analysis indicates that the contributions to the surface for the H...H, H...N/ N...H, H...C/C...H, H...Cl/Cl...H and C...C contacts are 30.2, 19.9, 28.6, 12.2 and 3.7%, respectively.
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Akonan et al. (2025) studied this question.
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