1,4,7-triazacyclononane hemihydrate

Andrew R. Battle, Daniel L. Johnson, Lisandra L. Martin*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


The title compound, C6H15N 3·0.5H2O, crystallizes in the high-symmetry trigonal space group P3c1. 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-H⋯O 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.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Issue number2
Publication statusPublished - Feb 2005
Externally publishedYes


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