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

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

The asymmetric unit of the title compound, C10H26N42+·2C6H4NO2−·2H2O, 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 b...

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Main Authors: Nam-Ho Kim, Kwang Ha
Format: Article
Language:English
Published: International Union of Crystallography 2009-10-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809037258
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spelling doaj-bae95df9961b48e49a7fe9f4194e57ab2020-11-24T23:54:49ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-10-016510o2504o250410.1107/S16005368090372584,11-Diaza-1,8-diazoniacyclotetradecane bis(pyridine-2-carboxylate) dihydrateNam-Ho KimKwang HaThe asymmetric unit of the title compound, C10H26N42+·2C6H4NO2−·2H2O, 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. http://scripts.iucr.org/cgi-bin/paper?S1600536809037258
collection DOAJ
language English
format Article
sources DOAJ
author Nam-Ho Kim
Kwang Ha
spellingShingle Nam-Ho Kim
Kwang Ha
4,11-Diaza-1,8-diazoniacyclotetradecane bis(pyridine-2-carboxylate) dihydrate
Acta Crystallographica Section E
author_facet Nam-Ho Kim
Kwang Ha
author_sort Nam-Ho Kim
title 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_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_sort 4,11-diaza-1,8-diazoniacyclotetradecane bis(pyridine-2-carboxylate) dihydrate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2009-10-01
description The asymmetric unit of the title compound, C10H26N42+·2C6H4NO2−·2H2O, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536809037258
work_keys_str_mv AT namhokim 411diaza18diazoniacyclotetradecanebispyridine2carboxylatedihydrate
AT kwangha 411diaza18diazoniacyclotetradecanebispyridine2carboxylatedihydrate
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