Abstract
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 mol-ecules. The macropolycycle contains two cyclo-hexane rings and one 1,3-di-aza-cyclo-hexane 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 intra-molecular N-H⋯N hydrogen bond helps to stabilize the mol-ecular conformation while medium-strength inter-molecular N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds involving the lattice water mol-ecules connect the components into a three-dimensional network.
Highlights
The structure of the title compound, C21H40N42H2O, has been determined from synchrotron X-ray radiation data
We recently described the preparation, spectroscopic properties and the molecular and crystal structure of 3,14-dimethyl-2,6,13,17-tetraazapentacyclo(16.4.12,17.16,13.0.07,12)tetracosane containing two
The intramolecular hydrogen bond between the amine group N4—H1N4 and the tertiary N3 atom lends some rigidity to the 12-membered macropolycycle L2 ring (Fig. 1)
Summary
Macrocyclic ligands and their complexes are involved in diverse application fields such as catalysis, enzyme mimics, chemical sensors, purification of waste water, selective metalion recovery and antitumor agents and therapy (Meyer et al., 1998). C- or N-functionalized macrocyclic compounds and their metal complexes because the structural and chemical properties are often quite different from those of the corresponding non-functionalized compounds (Barefield, 2010; Choi et al, 2010). Structural modifications of the macrocycles based on methylene bridging of adjacent nitrogen atoms have been achieved using various methods (Royal et al, 1998; Tripier et al, 2001; Hubin, 2003; Kang et al, 2008).
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