Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecane (TATU) and 4-chlorophenol (1/2)

2016 
In the title compound, C7H14N4·2C6H5ClO, which crystallized with two crystallographically independent 4-chloro­phenol mol­ecules and one 1,3,6,8-tetra­aza­tri­cyclo­[4.3.1.13,8]undecane (TATU) mol­ecule in the asymmetric unit, the independent components are linked by two O—H⋯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⋯N hydrogen bonds. The crystal structure also features C—H⋯π contacts.
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