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
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author Kim, Nam-Ho
Ha, Kwang
author_facet Kim, Nam-Ho
Ha, Kwang
author_sort Kim, Nam-Ho
collection PubMed
description 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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spelling pubmed-29703432010-12-30 4,11-Diaza-1,8-diazo­niacyclo­tetra­decane bis­(pyridine-2-carboxyl­ate) dihydrate Kim, Nam-Ho Ha, Kwang Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2009-09-19 /pmc/articles/PMC2970343/ /pubmed/21577953 http://dx.doi.org/10.1107/S1600536809037258 Text en © Kim and Ha 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Kim, Nam-Ho
Ha, Kwang
4,11-Diaza-1,8-diazo­niacyclo­tetra­decane bis­(pyridine-2-carboxyl­ate) dihydrate
title 4,11-Diaza-1,8-diazo­niacyclo­tetra­decane bis­(pyridine-2-carboxyl­ate) dihydrate
title_full 4,11-Diaza-1,8-diazo­niacyclo­tetra­decane bis­(pyridine-2-carboxyl­ate) dihydrate
title_fullStr 4,11-Diaza-1,8-diazo­niacyclo­tetra­decane bis­(pyridine-2-carboxyl­ate) dihydrate
title_full_unstemmed 4,11-Diaza-1,8-diazo­niacyclo­tetra­decane bis­(pyridine-2-carboxyl­ate) dihydrate
title_short 4,11-Diaza-1,8-diazo­niacyclo­tetra­decane bis­(pyridine-2-carboxyl­ate) dihydrate
title_sort 4,11-diaza-1,8-diazo­niacyclo­tetra­decane bis­(pyridine-2-carboxyl­ate) dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970343/
https://www.ncbi.nlm.nih.gov/pubmed/21577953
http://dx.doi.org/10.1107/S1600536809037258
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