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Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane bis(perchlorate) from synchrotron X-ray data
The crystal structure of the title salt, C(20)H(42)N(4) (2+)·2ClO(4) (−), has been determined using synchrotron radiation at 220 (2) K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit comprises one half of the organic dicati...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100260/ https://www.ncbi.nlm.nih.gov/pubmed/34026263 http://dx.doi.org/10.1107/S2056989021004278 |
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author | Moon, Dohyun Jeon, Sunghwan Choi, Jong-Ha |
author_facet | Moon, Dohyun Jeon, Sunghwan Choi, Jong-Ha |
author_sort | Moon, Dohyun |
collection | PubMed |
description | The crystal structure of the title salt, C(20)H(42)N(4) (2+)·2ClO(4) (−), has been determined using synchrotron radiation at 220 (2) K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit comprises one half of the organic dication, which lies about a center of inversion, and one perchlorate anion. The macrocyclic dication adopts the most stable endodentate trans-III conformation. The crystal structure is stabilized by intramolecular N—H⋯N, and intermolecular N—H⋯O and C–H⋯O hydrogen bonds involving the macrocycle N—H and C—H groups as donors and the O atoms of perchlorate anions as acceptors, giving rise to a three-dimensional network. |
format | Online Article Text |
id | pubmed-8100260 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-81002602021-05-21 Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane bis(perchlorate) from synchrotron X-ray data Moon, Dohyun Jeon, Sunghwan Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title salt, C(20)H(42)N(4) (2+)·2ClO(4) (−), has been determined using synchrotron radiation at 220 (2) K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit comprises one half of the organic dication, which lies about a center of inversion, and one perchlorate anion. The macrocyclic dication adopts the most stable endodentate trans-III conformation. The crystal structure is stabilized by intramolecular N—H⋯N, and intermolecular N—H⋯O and C–H⋯O hydrogen bonds involving the macrocycle N—H and C—H groups as donors and the O atoms of perchlorate anions as acceptors, giving rise to a three-dimensional network. International Union of Crystallography 2021-04-23 /pmc/articles/PMC8100260/ /pubmed/34026263 http://dx.doi.org/10.1107/S2056989021004278 Text en © Moon et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Moon, Dohyun Jeon, Sunghwan Choi, Jong-Ha Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane bis(perchlorate) from synchrotron X-ray data |
title | Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane bis(perchlorate) from synchrotron X-ray data |
title_full | Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane bis(perchlorate) from synchrotron X-ray data |
title_fullStr | Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane bis(perchlorate) from synchrotron X-ray data |
title_full_unstemmed | Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane bis(perchlorate) from synchrotron X-ray data |
title_short | Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane bis(perchlorate) from synchrotron X-ray data |
title_sort | crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane bis(perchlorate) from synchrotron x-ray data |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100260/ https://www.ncbi.nlm.nih.gov/pubmed/34026263 http://dx.doi.org/10.1107/S2056989021004278 |
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