Theobrominium perchlorate dibenzo-18-crown-6 3.25-hydrate

The co-crystal, C₇H₉N₄O₂⁺·ClO₄⁻·C₂₀H₂₄O₆·3.25H₂O, consists of theobrominium (3,7-di­methyl-2,6-dioxo-1H-purin-9-ium) cations, perchlorate anions and dibenzo-18-crown-6 and water mol­ecules. The crown ether is in a bent conformation, in which the planes of the aromatic rings subtend an angle of 63.7 (1)°. Inter­molecular O—H...O hydrogen bonding between the water mol­ecules and the O atoms of the cyclic ether delimit an empty space reminiscent of a hollow cage. The water mol­ecules are additionally linked to the cations by N—H...O hydrogen bonding. One of the positions of the water molecules is occupied only fractionally (25%) and is located outside this framework.