“…4-chlorophenol (Rivera et al, 2015a(Rivera et al, , 2016a, and the 2:1 adducts of TATD (3) with 4-bromophenol and 4-iodophenol (Rivera et al, 2015b(Rivera et al, , 2017b, crystal analysis shows that in (2a) and (3a), the 3-NP molecules are hydrogen bonded to N atoms of the same N-CH 2 -CH 2 -N moiety, which is the key structural parameter from the X-ray diffraction studies. However, although the molecular constitutions of compounds (2) and (3) differ only in the presence of one additional ethylene bridge in the tricyclic structure of (3), they nonetheless exhibit some marked differences in their conformations: in particular, the N-C-C-N torsion angles are À9.3 (5) (N1-C1-C2-N2) and 9.3 (4) (N3-C7-C8-N4) in cocrystal (3a), while the corresponding value of the N1-C2-C2-N1 torsion angle is 0.0 (2) , which indicates that the 42m symmetry of (3) is not maintained in the cage structure (Rivera et al, 2014;Murray-Rust, 1974).…”