Crystal structure of the co-crystalline adduct 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane (TATD)-4-iodophenol (1/2): supramolecular assembly mediated by halogen and hydrogen bonding

The asymmetric unit of the title co-crystalline adduct, 1,3,6,8-tetraazatricyclo[4.4.1.1(3,8)]dodecane (TATD)-4-iodophenol (1/2), C8H16N4 center dot 2C(6)H(5)IO, comprises a half molecule of the aminal cage polyamine plus a 4-iodophenol molecule. A twofold rotation axis generates the other half of the adduct. The components are linked by two intermolecular O-H center dot center dot center dot N hydrogen bonds. The adducts are further linked into a three-dimensional framework structure by a combination of N center dot center dot center dot I halogen bonds and weak non-conventional C-H center dot center dot center dot O and C-H center dot center dot center dot I hydrogen bonds.