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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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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. |
format | Online Article Text |
id | pubmed-6072991 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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