In the title compound, C(20)H(40)N(8).H(2)O, the organic molecule crystallizes with one water molecule located within the molecular cavity of the octaaza macrocycle. The two molecules are linked via two weak O-H...N hydrogen bonds. The assembly has noncrystallographic C(2) axial symmetry.
Unexpected conformational consequences of weak hydrogen bonds on 1,3,7,9,13,15,19,21-octaazapentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosane monohydrate.