1,4,7-triazacyclononane hemihydrate

Andrew R. Battle; Daniel L. Johnson; Lisandra L. Martin

doi:10.1107/S1600536805000814

1,4,7-triazacyclononane hemihydrate

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

^*Corresponding author for this work

Research output: Contribution to journal › Article

3 Citations (Scopus)

Abstract

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 language	English
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	61
Issue number	2
DOIs	https://doi.org/10.1107/S1600536805000814
Publication status	Published - Feb 2005
Externally published	Yes

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Battle, A. R., Johnson, D. L., & Martin, L. L. (2005). 1,4,7-triazacyclononane hemihydrate. Acta Crystallographica Section E: Structure Reports Online, 61(2). https://doi.org/10.1107/S1600536805000814

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title = "1,4,7-triazacyclononane hemihydrate",

abstract = "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.",

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journal = "Acta Crystallographica Section E: Structure Reports Online",

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T1 - 1,4,7-triazacyclononane hemihydrate

AU - Battle, Andrew R.

AU - Johnson, Daniel L.

AU - Martin, Lisandra L.

PY - 2005/2

Y1 - 2005/2

N2 - 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.

AB - 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.

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U2 - 10.1107/S1600536805000814

DO - 10.1107/S1600536805000814

M3 - Article

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JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

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10.1107/S1600536805000814

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