Cargando…
Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane dinitrate dihydrate from synchrotron X-ray data
The crystal structure of title salt, C(22)H(46)N(4) (2+)·2NO(3) (−)·2H(2)O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit contains half a centrosymmetric dication,...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658972/ https://www.ncbi.nlm.nih.gov/pubmed/31391995 http://dx.doi.org/10.1107/S2056989019007655 |
_version_ | 1783439047392231424 |
---|---|
author | Moon, Dohyun Jeon, Sunghwan Ryoo, Keon Sang Choi, Jong-Ha |
author_facet | Moon, Dohyun Jeon, Sunghwan Ryoo, Keon Sang Choi, Jong-Ha |
author_sort | Moon, Dohyun |
collection | PubMed |
description | The crystal structure of title salt, C(22)H(46)N(4) (2+)·2NO(3) (−)·2H(2)O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit contains half a centrosymmetric dication, one nitrate anion and one water molecule. The molecular dication, C(22)H(46)N(4) (2+), together with the nitrate anion and hydrate water molecule are involved in an extensive range of hydrogen bonds. The molecule is stabilized, as is the conformation of the dication, by forming intermolecular N—H⋯O, O—H⋯O, together with intramolecular N—H⋯N hydrogen bonds. |
format | Online Article Text |
id | pubmed-6658972 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-66589722019-08-07 Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane dinitrate dihydrate from synchrotron X-ray data Moon, Dohyun Jeon, Sunghwan Ryoo, Keon Sang Choi, Jong-Ha Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of title salt, C(22)H(46)N(4) (2+)·2NO(3) (−)·2H(2)O, has been determined using synchrotron radiation at 220 K. The structure determination reveals that protonation has occurred at diagonally opposite amine N atoms. The asymmetric unit contains half a centrosymmetric dication, one nitrate anion and one water molecule. The molecular dication, C(22)H(46)N(4) (2+), together with the nitrate anion and hydrate water molecule are involved in an extensive range of hydrogen bonds. The molecule is stabilized, as is the conformation of the dication, by forming intermolecular N—H⋯O, O—H⋯O, together with intramolecular N—H⋯N hydrogen bonds. International Union of Crystallography 2019-05-31 /pmc/articles/PMC6658972/ /pubmed/31391995 http://dx.doi.org/10.1107/S2056989019007655 Text en © Moon et al. 2019 http://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.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Moon, Dohyun Jeon, Sunghwan Ryoo, Keon Sang Choi, Jong-Ha Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane dinitrate dihydrate from synchrotron X-ray data |
title | Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane dinitrate dihydrate from synchrotron X-ray data |
title_full | Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane dinitrate dihydrate from synchrotron X-ray data |
title_fullStr | Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane dinitrate dihydrate from synchrotron X-ray data |
title_full_unstemmed | Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane dinitrate dihydrate from synchrotron X-ray data |
title_short | Crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane dinitrate dihydrate from synchrotron X-ray data |
title_sort | crystal structure of 3,14-diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0(7,12)]docosane dinitrate dihydrate from synchrotron x-ray data |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658972/ https://www.ncbi.nlm.nih.gov/pubmed/31391995 http://dx.doi.org/10.1107/S2056989019007655 |
work_keys_str_mv | AT moondohyun crystalstructureof314diethyl213diaza617diazoniatricyclo16400712docosanedinitratedihydratefromsynchrotronxraydata AT jeonsunghwan crystalstructureof314diethyl213diaza617diazoniatricyclo16400712docosanedinitratedihydratefromsynchrotronxraydata AT ryookeonsang crystalstructureof314diethyl213diaza617diazoniatricyclo16400712docosanedinitratedihydratefromsynchrotronxraydata AT choijongha crystalstructureof314diethyl213diaza617diazoniatricyclo16400712docosanedinitratedihydratefromsynchrotronxraydata |