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2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate
In the title hydrated salt, C(36)H(66)N(8)O(6+)·6ClO(4) (−)·1.5H(2)O, the asymmetric unit consists of a hexaprotonated [H(6) L](6+) cation, five perchlorate anions in general positions, two on twofold rotation axes (one of which is disordered), and two water molecules of crystallization in general...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589030/ https://www.ncbi.nlm.nih.gov/pubmed/23476266 http://dx.doi.org/10.1107/S1600536812047484 |
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author | Fusi, Vieri Formica, Mauro Macedi, Eleonora Paoli, Paola Rossi, Patrizia |
author_facet | Fusi, Vieri Formica, Mauro Macedi, Eleonora Paoli, Paola Rossi, Patrizia |
author_sort | Fusi, Vieri |
collection | PubMed |
description | In the title hydrated salt, C(36)H(66)N(8)O(6+)·6ClO(4) (−)·1.5H(2)O, the asymmetric unit consists of a hexaprotonated [H(6) L](6+) cation, five perchlorate anions in general positions, two on twofold rotation axes (one of which is disordered), and two water molecules of crystallization in general positions, one of them disordered around a twofold crystallographic axis. In the [H(6) L](6+) cation, two strong intramolecular N—H⋯N hydrogen bonds occur, involving the N atoms of the oxadiazole ring as acceptors and the closest NH(+) groups of each dipropylenetriamine unit. In the crystal, the [H(6) L](6+) cations form channels along the a-axis direction, in which the perchlorate counter-ions and the water molecules are lodged. The crystal packing features a network of N—H⋯O and O—H⋯O hydrogen bonds involving the NH(+) groups of the [H(6) L](6+) cation, the perchlorate anions and the water molecules. |
format | Online Article Text |
id | pubmed-3589030 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35890302013-03-08 2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate Fusi, Vieri Formica, Mauro Macedi, Eleonora Paoli, Paola Rossi, Patrizia Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title hydrated salt, C(36)H(66)N(8)O(6+)·6ClO(4) (−)·1.5H(2)O, the asymmetric unit consists of a hexaprotonated [H(6) L](6+) cation, five perchlorate anions in general positions, two on twofold rotation axes (one of which is disordered), and two water molecules of crystallization in general positions, one of them disordered around a twofold crystallographic axis. In the [H(6) L](6+) cation, two strong intramolecular N—H⋯N hydrogen bonds occur, involving the N atoms of the oxadiazole ring as acceptors and the closest NH(+) groups of each dipropylenetriamine unit. In the crystal, the [H(6) L](6+) cations form channels along the a-axis direction, in which the perchlorate counter-ions and the water molecules are lodged. The crystal packing features a network of N—H⋯O and O—H⋯O hydrogen bonds involving the NH(+) groups of the [H(6) L](6+) cation, the perchlorate anions and the water molecules. International Union of Crystallography 2012-11-24 /pmc/articles/PMC3589030/ /pubmed/23476266 http://dx.doi.org/10.1107/S1600536812047484 Text en © Fusi et al. 2012 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 Fusi, Vieri Formica, Mauro Macedi, Eleonora Paoli, Paola Rossi, Patrizia 2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate |
title | 2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate |
title_full | 2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate |
title_fullStr | 2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate |
title_full_unstemmed | 2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate |
title_short | 2,5-Bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate |
title_sort | 2,5-bis[2-({bis[3-(dimethylazaniumyl)propyl]azaniumyl}methyl)phenyl]-1,3,4-oxadiazole hexakis(perchlorate) sesquihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589030/ https://www.ncbi.nlm.nih.gov/pubmed/23476266 http://dx.doi.org/10.1107/S1600536812047484 |
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