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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....

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Autores principales: Said, Farouq F., Ali, Basem F., Richeson, Darrin, Korobkov, Ilia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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