Crystal structure of 9,20-di­methyl-1,8,12,19-tetra­aza­tetra­cyclo­[17.3.1.02,7.013,18]tri­cosane dihydrate from synchrotron X-ray data

The structure of the title compound, C21H40N4·2H2O, has been determined from synchrotron X-ray radiation data. The asymmetric unit comprises one 12-membered macropolycycle and two lattice water mol­ecules. The macropolycycle contains two cyclo­hexane rings and one 1,3-di­aza­cyclo­hexane ring, all in chair conformations. The C—N and C—C bond lengths are in the ranges 1.4526 (16)–1.4786 (17) and 1.517 (2)–1.5414 (17) Å, respectively. One intra­molecular N—H⋯N hydrogen bond helps to stabilize the mol­ecular conformation while medium-strength inter­molecular N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds involving the lattice water mol­ecules connect the components into a three-dimensional network.