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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3435833 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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