Crystal structure of the 1: 2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.1 3,8] undecane (TATU) and 4-chlorophenol (1/2)

In the title compound, C7H14N4 center dot 2C(6)H(5)ClO, which crystallized with two crystallographically independent 4-chlorophenol molecules and one 1,3,6,8-tetraazatricyclo[4.3.1.1 (3,8)] undecane (TATU) molecule in the asymmetric unit, the independent components are linked by two O-H center dot center dot center dot N hydrogen bonds. The hydrogen-bond acceptor sites are two non-equivalent N atoms from the aminal cage structure, and the tricyclic system distorts by changing the C-N bond lengths. In the crystal, these hydrogen-bonded aggregates are linked into chains along the c axis by C-H center dot center dot center dot N hydrogen bonds. The crystal structure also features C-H center dot center dot center dot N contacts.