(IUCr) Crystallography Journals Online

[Contents scheme]

Acta Cryst. (2005). E61, o330-o332 [ doi:10.1107/S1600536805000814 ]

1,4,7-Triazacyclononane hemihydrate

A. R. Battle, D. L. Johnson and L. L. Martin

Abstract: The title compound, C₆H₁₅N₃·0.5H₂O, crystallizes in the high-symmetry trigonal space group P $\bar{3}$ c1. This is, after more than 30 years of effort on this compound, the first reported structure of the free base of this macrocycle. Six N-HO hydrogen bonds are formed between the water O atom occupying a special site at the origin and N atoms of six neighbouring 1,4,7-triazacyclononane molecules.

Online 22 January 2005