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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...

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Detalles Bibliográficos
Autores principales: Moon, Dohyun, Jeon, Sunghwan, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
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.
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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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AT choijongha crystalstructureof314dimethyl213diaza617diazoniatricyclo16400712docosanebisperchloratefromsynchrotronxraydata