Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties

Halogen halogen contacts are considerably important intermolecular interactions. An adamantane-based macrocycle with pyridazine moieties ( 1 ) was synthesized from 3,6-dichloropyridazine and disubstituted adamantane possessing chlorophenol moieties in 57% yield as a new host molecule. The crystallization of 1 in various solvents afforded six inclusion crystals. The macrocyclic framework had a nearly hexagonal structure with a cavity, and was assembled into various network structures composed of layer architectures bearing channels. In crystals containing cyclic ethers, halogen halogen interactions between all chlorine atoms of 1 were observed. Meanwhile, in crystals containing halomethanes and aromatic compounds, CH Cl interactions alternately and partially appeared. Six inclusion crystals were formed from crystallization of an adamantane-based macrocycle bearing pyridazine parts in various solvents. In inclusion crystals with cyclic ethers, halogen halogen interactions between the macrocycles were observed.