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Bis(N,N′,N′′-triisopropylguanidinium) fumarate–fumaric acid (1/1)
The asymmetric unit of the title compound, C(10)H(24)N(3) (+)·0.5C(4)H(2)O(4) (2−)·0.5C(4)H(4)O(4), comprises a triisopropylguanidinium cation, half of a fumarate dianion and half of a fumaric acid molecule; both the fumarate dianion and the fumaric acid molecule are located on inversion centres....
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379463/ https://www.ncbi.nlm.nih.gov/pubmed/22719661 http://dx.doi.org/10.1107/S1600536812023094 |
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author | Said, Farouq F. Ali, Basem F. Richeson, Darrin Korobkov, Ilia |
author_facet | Said, Farouq F. Ali, Basem F. Richeson, Darrin Korobkov, Ilia |
author_sort | Said, Farouq F. |
collection | PubMed |
description | The asymmetric unit of the title compound, C(10)H(24)N(3) (+)·0.5C(4)H(2)O(4) (2−)·0.5C(4)H(4)O(4), comprises a triisopropylguanidinium cation, half of a fumarate dianion and half of a fumaric acid molecule; both the fumarate dianion and the fumaric acid molecule are located on inversion centres. In the crystal, intermolecular O—H⋯O hydrogen bonds between the carboxyl groups of the fumaric acid molecules and the carboxylate groups of the fumarate anions lead to the formation of a hydrogen-bonded supramolecular twisted chain along the b axis. The triisopropylguanidinium cations interact with the fumarate–fumaric acid chains via extensive N—H⋯O and C—H⋯O hydrogen bonds, leading to a ladder arrangement, with the cation being the rungs that bridge three curled chains of fumarate–fumaric acid. The crystal packing is stabilized by N—H⋯O and C—H⋯O (cation⋯fumarate/fumaric) and O—H⋯O (fumarate⋯fumaric) hydrogen bonds, consolidating a three-dimensional network. |
format | Online Article Text |
id | pubmed-3379463 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33794632012-06-20 Bis(N,N′,N′′-triisopropylguanidinium) fumarate–fumaric acid (1/1) Said, Farouq F. Ali, Basem F. Richeson, Darrin Korobkov, Ilia Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(10)H(24)N(3) (+)·0.5C(4)H(2)O(4) (2−)·0.5C(4)H(4)O(4), comprises a triisopropylguanidinium cation, half of a fumarate dianion and half of a fumaric acid molecule; both the fumarate dianion and the fumaric acid molecule are located on inversion centres. In the crystal, intermolecular O—H⋯O hydrogen bonds between the carboxyl groups of the fumaric acid molecules and the carboxylate groups of the fumarate anions lead to the formation of a hydrogen-bonded supramolecular twisted chain along the b axis. The triisopropylguanidinium cations interact with the fumarate–fumaric acid chains via extensive N—H⋯O and C—H⋯O hydrogen bonds, leading to a ladder arrangement, with the cation being the rungs that bridge three curled chains of fumarate–fumaric acid. The crystal packing is stabilized by N—H⋯O and C—H⋯O (cation⋯fumarate/fumaric) and O—H⋯O (fumarate⋯fumaric) hydrogen bonds, consolidating a three-dimensional network. International Union of Crystallography 2012-05-26 /pmc/articles/PMC3379463/ /pubmed/22719661 http://dx.doi.org/10.1107/S1600536812023094 Text en © Said et al. 2012 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 Said, Farouq F. Ali, Basem F. Richeson, Darrin Korobkov, Ilia Bis(N,N′,N′′-triisopropylguanidinium) fumarate–fumaric acid (1/1) |
title | Bis(N,N′,N′′-triisopropylguanidinium) fumarate–fumaric acid (1/1) |
title_full | Bis(N,N′,N′′-triisopropylguanidinium) fumarate–fumaric acid (1/1) |
title_fullStr | Bis(N,N′,N′′-triisopropylguanidinium) fumarate–fumaric acid (1/1) |
title_full_unstemmed | Bis(N,N′,N′′-triisopropylguanidinium) fumarate–fumaric acid (1/1) |
title_short | Bis(N,N′,N′′-triisopropylguanidinium) fumarate–fumaric acid (1/1) |
title_sort | bis(n,n′,n′′-triisopropylguanidinium) fumarate–fumaric acid (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379463/ https://www.ncbi.nlm.nih.gov/pubmed/22719661 http://dx.doi.org/10.1107/S1600536812023094 |
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