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1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate)
In the title salt C(6)H(14)N(2) (2+)·2C(7)H(4)ClO(2) (−), two 3-chlorobenzoate (3CBA) anions are bridged by one diprotonated 1,4-diazabicyclo[2.2.2]octane-1,4-diium (H(2)DABCO(2+)) dication through N—H⋯O hydrogen bonds. In this way, a trimeric unit is generated, in which the mean planes of the t...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998315/ https://www.ncbi.nlm.nih.gov/pubmed/24764876 http://dx.doi.org/10.1107/S1600536814000610 |
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author | Yao, Zi-Shuo Sato, Osamu |
author_facet | Yao, Zi-Shuo Sato, Osamu |
author_sort | Yao, Zi-Shuo |
collection | PubMed |
description | In the title salt C(6)H(14)N(2) (2+)·2C(7)H(4)ClO(2) (−), two 3-chlorobenzoate (3CBA) anions are bridged by one diprotonated 1,4-diazabicyclo[2.2.2]octane-1,4-diium (H(2)DABCO(2+)) dication through N—H⋯O hydrogen bonds. In this way, a trimeric unit is generated, in which the mean planes of the two 3CBA anions are twisted with respect to each other by a dihedral angle of 59.87 (9)°. The trimeric units are linked into a three-dimensional network via weak C—H⋯O interactions. |
format | Online Article Text |
id | pubmed-3998315 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39983152014-04-24 1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate) Yao, Zi-Shuo Sato, Osamu Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt C(6)H(14)N(2) (2+)·2C(7)H(4)ClO(2) (−), two 3-chlorobenzoate (3CBA) anions are bridged by one diprotonated 1,4-diazabicyclo[2.2.2]octane-1,4-diium (H(2)DABCO(2+)) dication through N—H⋯O hydrogen bonds. In this way, a trimeric unit is generated, in which the mean planes of the two 3CBA anions are twisted with respect to each other by a dihedral angle of 59.87 (9)°. The trimeric units are linked into a three-dimensional network via weak C—H⋯O interactions. International Union of Crystallography 2014-01-18 /pmc/articles/PMC3998315/ /pubmed/24764876 http://dx.doi.org/10.1107/S1600536814000610 Text en © Yao and Sato 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Yao, Zi-Shuo Sato, Osamu 1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate) |
title | 1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate) |
title_full | 1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate) |
title_fullStr | 1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate) |
title_full_unstemmed | 1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate) |
title_short | 1,4-Diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate) |
title_sort | 1,4-diazabicyclo[2.2.2]octane-1,4-diium bis(3-chlorobenzoate) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998315/ https://www.ncbi.nlm.nih.gov/pubmed/24764876 http://dx.doi.org/10.1107/S1600536814000610 |
work_keys_str_mv | AT yaozishuo 14diazabicyclo222octane14diiumbis3chlorobenzoate AT satoosamu 14diazabicyclo222octane14diiumbis3chlorobenzoate |