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Hexa­kis­(propyl­ammonium) benzene-1,2,4,5-tetra­carboxyl­ate 2,5-dicarb­oxy­benzene-1,4-carboxyl­ate tetra­hydrate

The title organic salt, 6C(3)H(10)N(+)·C(10)H(2)O(8) (4−)·C(10)H(4)O(8) (2−)·4H(2)O, contains seven independent entities in the asymmetric unit which comprises three propyl­ammonium cations, two water mol­ecules, half a 2,5-dicarb­oxy­benzene-1,4-carboxyl­ate dianion (H(2)btc(2−)) and half a benzene...

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Detalles Bibliográficos
Autores principales: Khorasani, Sanaz, Fernandes, Manuel A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435833/
https://www.ncbi.nlm.nih.gov/pubmed/22969679
http://dx.doi.org/10.1107/S1600536812036501
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author Khorasani, Sanaz
Fernandes, Manuel A.
author_facet Khorasani, Sanaz
Fernandes, Manuel A.
author_sort Khorasani, Sanaz
collection PubMed
description The title organic salt, 6C(3)H(10)N(+)·C(10)H(2)O(8) (4−)·C(10)H(4)O(8) (2−)·4H(2)O, contains seven independent entities in the asymmetric unit which comprises three propyl­ammonium cations, two water mol­ecules, half a 2,5-dicarb­oxy­benzene-1,4-carboxyl­ate dianion (H(2)btc(2−)) and half a benzene-1,2,4,5-tetra­carboxyl­ate tetra­anion (btc(4−)), the latter two anions being located about centres of inversion. One of the water mol­ecules is disordered over two positions in a 0.55 (2):0.45 (2) ratio. The combination of mol­ecular ions and water mol­ecules results in an extensive and complex three-dimensional network of hydrogen bonds, the network being made up of nine unique N—H⋯O inter­actions between the ammonium cations and the anions, as well as four unique O—H⋯O inter­actions between the water mol­ecules and the anions.
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spelling pubmed-34358332012-09-11 Hexa­kis­(propyl­ammonium) benzene-1,2,4,5-tetra­carboxyl­ate 2,5-dicarb­oxy­benzene-1,4-carboxyl­ate tetra­hydrate Khorasani, Sanaz Fernandes, Manuel A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title organic salt, 6C(3)H(10)N(+)·C(10)H(2)O(8) (4−)·C(10)H(4)O(8) (2−)·4H(2)O, contains seven independent entities in the asymmetric unit which comprises three propyl­ammonium cations, two water mol­ecules, half a 2,5-dicarb­oxy­benzene-1,4-carboxyl­ate dianion (H(2)btc(2−)) and half a benzene-1,2,4,5-tetra­carboxyl­ate tetra­anion (btc(4−)), the latter two anions being located about centres of inversion. One of the water mol­ecules is disordered over two positions in a 0.55 (2):0.45 (2) ratio. The combination of mol­ecular ions and water mol­ecules results in an extensive and complex three-dimensional network of hydrogen bonds, the network being made up of nine unique N—H⋯O inter­actions between the ammonium cations and the anions, as well as four unique O—H⋯O inter­actions between the water mol­ecules and the anions. International Union of Crystallography 2012-08-31 /pmc/articles/PMC3435833/ /pubmed/22969679 http://dx.doi.org/10.1107/S1600536812036501 Text en © Khorasani and Fernandes 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
Khorasani, Sanaz
Fernandes, Manuel A.
Hexa­kis­(propyl­ammonium) benzene-1,2,4,5-tetra­carboxyl­ate 2,5-dicarb­oxy­benzene-1,4-carboxyl­ate tetra­hydrate
title Hexa­kis­(propyl­ammonium) benzene-1,2,4,5-tetra­carboxyl­ate 2,5-dicarb­oxy­benzene-1,4-carboxyl­ate tetra­hydrate
title_full Hexa­kis­(propyl­ammonium) benzene-1,2,4,5-tetra­carboxyl­ate 2,5-dicarb­oxy­benzene-1,4-carboxyl­ate tetra­hydrate
title_fullStr Hexa­kis­(propyl­ammonium) benzene-1,2,4,5-tetra­carboxyl­ate 2,5-dicarb­oxy­benzene-1,4-carboxyl­ate tetra­hydrate
title_full_unstemmed Hexa­kis­(propyl­ammonium) benzene-1,2,4,5-tetra­carboxyl­ate 2,5-dicarb­oxy­benzene-1,4-carboxyl­ate tetra­hydrate
title_short Hexa­kis­(propyl­ammonium) benzene-1,2,4,5-tetra­carboxyl­ate 2,5-dicarb­oxy­benzene-1,4-carboxyl­ate tetra­hydrate
title_sort hexa­kis­(propyl­ammonium) benzene-1,2,4,5-tetra­carboxyl­ate 2,5-dicarb­oxy­benzene-1,4-carboxyl­ate tetra­hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435833/
https://www.ncbi.nlm.nih.gov/pubmed/22969679
http://dx.doi.org/10.1107/S1600536812036501
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