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4,11-Diaza-1,8-diazo-niacyclo-tetra-decane bis-(pyridine-2-carboxyl-ate) dihydrate.

Kim NH, Ha K - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: 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-tetra-azacyclo-tetra-decane (cyclam) dication, a pyridine-2-carboxyl-ate anion and a solvent water mol-ecule.The carboxyl-ate 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 inter-molecular N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Applied Chemical Engineering, The Research Institute of Catalysis, Chonnam National University, Gwangju 500-757, Republic of Korea.

ABSTRACT
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-tetra-azacyclo-tetra-decane (cyclam) dication, a pyridine-2-carboxyl-ate anion and a solvent water mol-ecule. The complete dication is generated by a crystallographic centre and adopts an endodentate conformation which may be influenced by intra-molecular N-H⋯N hydrogen bonding. The carboxyl-ate 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 inter-molecular N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds.

No MeSH data available.


View of the unit-cell contents of (I). Hydrogen bonding interactions are drawn with dashed lines.
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Fap2: View of the unit-cell contents of (I). Hydrogen bonding interactions are drawn with dashed lines.


4,11-Diaza-1,8-diazo-niacyclo-tetra-decane bis-(pyridine-2-carboxyl-ate) dihydrate.

Kim NH, Ha K - Acta Crystallogr Sect E Struct Rep Online (2009)

View of the unit-cell contents of (I). Hydrogen bonding interactions are drawn with dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2970343&req=5

Fap2: View of the unit-cell contents of (I). Hydrogen bonding interactions are drawn with dashed lines.
Bottom Line: 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-tetra-azacyclo-tetra-decane (cyclam) dication, a pyridine-2-carboxyl-ate anion and a solvent water mol-ecule.The carboxyl-ate 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 inter-molecular N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Applied Chemical Engineering, The Research Institute of Catalysis, Chonnam National University, Gwangju 500-757, Republic of Korea.

ABSTRACT
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-tetra-azacyclo-tetra-decane (cyclam) dication, a pyridine-2-carboxyl-ate anion and a solvent water mol-ecule. The complete dication is generated by a crystallographic centre and adopts an endodentate conformation which may be influenced by intra-molecular N-H⋯N hydrogen bonding. The carboxyl-ate 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 inter-molecular N-H⋯O, N-H⋯N and O-H⋯O hydrogen bonds.

No MeSH data available.