4,11-Diaza-1,8-diazo­niacyclo­tetra­decane bis­(pyridine-2-carboxyl­ate) dihydrate

The asymmetric unit of the title compound, C(10)H(26)N(4) (2+)·2C(6)H(4)NO(2) (−)·2H(2)O, consists of half of a doubly protonated 1,4,8,11-tetra­azacyclo­tetra­decane (cyclam) dication, a pyridine-2-carboxyl­ate anion and a solvent water mol­ecule. The complete dication is generated by a crystallogr...

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Detalles Bibliográficos
Autores principales: Kim, Nam-Ho, Ha, Kwang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970343/
https://www.ncbi.nlm.nih.gov/pubmed/21577953
http://dx.doi.org/10.1107/S1600536809037258
Descripción
Sumario:The asymmetric unit of the title compound, C(10)H(26)N(4) (2+)·2C(6)H(4)NO(2) (−)·2H(2)O, consists of half of a doubly protonated 1,4,8,11-tetra­azacyclo­tetra­decane (cyclam) dication, a pyridine-2-carboxyl­ate anion and a solvent water mol­ecule. The complete dication is generated by a crystallographic centre and adopts an endodentate conformation which may be influenced by intra­molecular N—H⋯N hydrogen bonding. The carboxyl­ate group of the anion appears to be delocalized on the basis of the C—O bond lengths [1.257 (2) and 1.250 (2) Å]. In the crystal structure, the components are linked by inter­molecular N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds.

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