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Crystal structure of 3,14-dimethyl-2,6,13,17-tetra­azoniatri­cyclo­[16.4.0.0(7,12)]docosane tetra­chloride tetra­hydrate from synchrotron X-ray data

The crystal structure of the title salt, C(20)H(44)N(4) (4+)·4Cl(−)·4H(2)O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallograph...

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Detalles Bibliográficos
Autores principales: Moon, Dohyun, Choi, Jong-Ha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6072991/
https://www.ncbi.nlm.nih.gov/pubmed/30116557
http://dx.doi.org/10.1107/S2056989018009337
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author Moon, Dohyun
Choi, Jong-Ha
author_facet Moon, Dohyun
Choi, Jong-Ha
author_sort Moon, Dohyun
collection PubMed
description The crystal structure of the title salt, C(20)H(44)N(4) (4+)·4Cl(−)·4H(2)O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion symmetry), two chloride anions and two water mol­ecules. There are two mol­ecules in the unit cell. The Cl(−) anions and hydrate mol­ecules are involved in hydrogen bonding. The crystal structure is stabilized by inter­molecular hydrogen bonds involving the macrocycle N—H groups and water O—H groups as donors and the O atoms of the water mol­ecules and the Cl(−) anions as acceptors, giving rise to a three-dimensional network.
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spelling pubmed-60729912018-08-16 Crystal structure of 3,14-dimethyl-2,6,13,17-tetra­azoniatri­cyclo­[16.4.0.0(7,12)]docosane tetra­chloride tetra­hydrate from synchrotron X-ray data Moon, Dohyun Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the title salt, C(20)H(44)N(4) (4+)·4Cl(−)·4H(2)O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at all four amine N atoms. The asymmetric unit contains one half-cation (completed by crystallographic inversion symmetry), two chloride anions and two water mol­ecules. There are two mol­ecules in the unit cell. The Cl(−) anions and hydrate mol­ecules are involved in hydrogen bonding. The crystal structure is stabilized by inter­molecular hydrogen bonds involving the macrocycle N—H groups and water O—H groups as donors and the O atoms of the water mol­ecules and the Cl(−) anions as acceptors, giving rise to a three-dimensional network. International Union of Crystallography 2018-07-06 /pmc/articles/PMC6072991/ /pubmed/30116557 http://dx.doi.org/10.1107/S2056989018009337 Text en © Moon and Choi 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Moon, Dohyun
Choi, Jong-Ha
Crystal structure of 3,14-dimethyl-2,6,13,17-tetra­azoniatri­cyclo­[16.4.0.0(7,12)]docosane tetra­chloride tetra­hydrate from synchrotron X-ray data
title Crystal structure of 3,14-dimethyl-2,6,13,17-tetra­azoniatri­cyclo­[16.4.0.0(7,12)]docosane tetra­chloride tetra­hydrate from synchrotron X-ray data
title_full Crystal structure of 3,14-dimethyl-2,6,13,17-tetra­azoniatri­cyclo­[16.4.0.0(7,12)]docosane tetra­chloride tetra­hydrate from synchrotron X-ray data
title_fullStr Crystal structure of 3,14-dimethyl-2,6,13,17-tetra­azoniatri­cyclo­[16.4.0.0(7,12)]docosane tetra­chloride tetra­hydrate from synchrotron X-ray data
title_full_unstemmed Crystal structure of 3,14-dimethyl-2,6,13,17-tetra­azoniatri­cyclo­[16.4.0.0(7,12)]docosane tetra­chloride tetra­hydrate from synchrotron X-ray data
title_short Crystal structure of 3,14-dimethyl-2,6,13,17-tetra­azoniatri­cyclo­[16.4.0.0(7,12)]docosane tetra­chloride tetra­hydrate from synchrotron X-ray data
title_sort crystal structure of 3,14-dimethyl-2,6,13,17-tetra­azoniatri­cyclo­[16.4.0.0(7,12)]docosane tetra­chloride tetra­hydrate from synchrotron x-ray data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6072991/
https://www.ncbi.nlm.nih.gov/pubmed/30116557
http://dx.doi.org/10.1107/S2056989018009337
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