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4,7-Diaza-1-azoniacyclo-nonane bromide.

ABSTRACT: The title compound, C(6)H(16)N(3) (+)·Br(-), is the bromide of the monoprotonated aza-macrocyclic triamine 1,4,7-triaza-cyclo-nonane (tacn). The threefold axis of the triamine is broken by the protonation of one of the three amine functions. The ammonium proton is bonded in an intra-molecular symmetrically bifurcated hydrogen bond to the two endodentate amine functions. Direct cation-anion contacts are established via N-H?Br hydrogen bonds between the bromide anions and tacnH(+) cations.

SUBMITTER: Allscher T

PROVIDER: S-EPMC2977258 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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4,7-Diaza-1-azoniacyclo-nonane bromide.

Allscher Thorsten T Klüfers Peter P Neumann Christine C

Acta crystallographica. Section E, Structure reports online 20090701 Pt 8

The title compound, C(6)H(16)N(3) (+)·Br(-), is the bromide of the monoprotonated aza-macrocyclic triamine 1,4,7-triaza-cyclo-nonane (tacn). The threefold axis of the triamine is broken by the protonation of one of the three amine functions. The ammonium proton is bonded in an intra-molecular symmetrically bifurcated hydrogen bond to the two endodentate amine functions. Direct cation-anion contacts are established via N-H⋯Br hydrogen bonds between the bromide anions and tacnH(+) cations. ...[more]

PMID: 21583449

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