4,11-Diaza-1,8-diazo­niacyclo­tetra­decane dichloride hemihydrate

In the title compound, C(10)H(26)N(4) (2+)·2Cl(−)·0.5H(2)O, the cyclam (1,4,8,11-tetra­azacyclo­tetra­decane) dication adopts an endodentate conformation which my be inflenced by intra­molecular N—H⋯N hydrogen bonding. In the crystal structure, the components are linked by N—H⋯Cl and O—H⋯Cl hydrogen...

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Detalles Bibliográficos
Autores principales: Kim, Nam-Ho, Hwang, In-Chul, 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/PMC2970031/
https://www.ncbi.nlm.nih.gov/pubmed/21577540
http://dx.doi.org/10.1107/S1600536809031110
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author Kim, Nam-Ho
Hwang, In-Chul
Ha, Kwang
author_facet Kim, Nam-Ho
Hwang, In-Chul
Ha, Kwang
author_sort Kim, Nam-Ho
collection PubMed
description In the title compound, C(10)H(26)N(4) (2+)·2Cl(−)·0.5H(2)O, the cyclam (1,4,8,11-tetra­azacyclo­tetra­decane) dication adopts an endodentate conformation which my be inflenced by intra­molecular N—H⋯N hydrogen bonding. In the crystal structure, the components are linked by N—H⋯Cl and O—H⋯Cl hydrogen bonds into chains along [100]. The water molecule is disordered over two sites in a 50:50 ratio.
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spelling pubmed-29700312010-12-30 4,11-Diaza-1,8-diazo­niacyclo­tetra­decane dichloride hemihydrate Kim, Nam-Ho Hwang, In-Chul Ha, Kwang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(26)N(4) (2+)·2Cl(−)·0.5H(2)O, the cyclam (1,4,8,11-tetra­azacyclo­tetra­decane) dication adopts an endodentate conformation which my be inflenced by intra­molecular N—H⋯N hydrogen bonding. In the crystal structure, the components are linked by N—H⋯Cl and O—H⋯Cl hydrogen bonds into chains along [100]. The water molecule is disordered over two sites in a 50:50 ratio. International Union of Crystallography 2009-08-12 /pmc/articles/PMC2970031/ /pubmed/21577540 http://dx.doi.org/10.1107/S1600536809031110 Text en © Kim et al. 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
Hwang, In-Chul
Ha, Kwang
4,11-Diaza-1,8-diazo­niacyclo­tetra­decane dichloride hemihydrate
title 4,11-Diaza-1,8-diazo­niacyclo­tetra­decane dichloride hemihydrate
title_full 4,11-Diaza-1,8-diazo­niacyclo­tetra­decane dichloride hemihydrate
title_fullStr 4,11-Diaza-1,8-diazo­niacyclo­tetra­decane dichloride hemihydrate
title_full_unstemmed 4,11-Diaza-1,8-diazo­niacyclo­tetra­decane dichloride hemihydrate
title_short 4,11-Diaza-1,8-diazo­niacyclo­tetra­decane dichloride hemihydrate
title_sort 4,11-diaza-1,8-diazo­niacyclo­tetra­decane dichloride hemihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970031/
https://www.ncbi.nlm.nih.gov/pubmed/21577540
http://dx.doi.org/10.1107/S1600536809031110
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