Crystal structure of the 1:2 co-crystal of 1,3,6,8-tetra-aza-tri-cyclo-[4.3.1.1^3,8]undecane (TATU) and 4-chloro-phenol (1/2).

ABSTRACT: In the title compound, C₇H₁₄N₄·2C₆H₅ClO, which crystallized with two crystallographically independent 4-chloro-phenol mol-ecules and one 1,3,6,8-tetra-aza-tri-cyclo-[4.3.1.1^3,8]undecane (TATU) mol-ecule 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.

SUBMITTER: Rivera A 

PROVIDER: S-EPMC5095853 | biostudies-literature | 2016 Nov

REPOSITORIES: biostudies-literature