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Propane-1,3-diaminium–2-carboxypyridine-6-carboxylate–pyridine-2,6-dicarboxylic acid–water (1/2/2/8)
The title proton-transfer compound, C(3)H(12)N(2) (2+)·2C(7)H(4)NO(4) (−)·2C(7)H(5)NO(4)·8H(2)O or (pnH(2))(pydcH)(2).2(pydcH(2))·8H(2)O, was obtained by the reaction of pyridine-2,6-dicarboxylic acid (pydcH(2)) and propane-1,3-diamine (pn) in aqueous solution. Both neutral and monoanionic forms of...
Autores principales: | , , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2007
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915292/ https://www.ncbi.nlm.nih.gov/pubmed/21200799 http://dx.doi.org/10.1107/S1600536807065270 |
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author | Soleimannejad, Janet Aghabozorg, Hossein Motyeian, Elham Ghadermazi, Mohammad Attar Gharamaleki, Jafar Adams, Harry |
author_facet | Soleimannejad, Janet Aghabozorg, Hossein Motyeian, Elham Ghadermazi, Mohammad Attar Gharamaleki, Jafar Adams, Harry |
author_sort | Soleimannejad, Janet |
collection | PubMed |
description | The title proton-transfer compound, C(3)H(12)N(2) (2+)·2C(7)H(4)NO(4) (−)·2C(7)H(5)NO(4)·8H(2)O or (pnH(2))(pydcH)(2).2(pydcH(2))·8H(2)O, was obtained by the reaction of pyridine-2,6-dicarboxylic acid (pydcH(2)) and propane-1,3-diamine (pn) in aqueous solution. Both neutral and monoanionic forms of the diacid are observed in the crystal structure. The negative charge of two monoanions is balanced by the dicationic propane-1,3-diaminium species. In addition, considerable π–π stacking interactions between the aromatic rings of the (pydcH)(−) and (pydcH(2)) fragments [with centroid–centroid distances of 3.5108 (11)–3.5949 (11) Å] are observed. The most important feature of this crystal structure is the presence of a large number of O—H⋯O, O—H⋯N, N—H⋯O, N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonds, with D⋯A ranging from 2.445 (2) to 3.485 (3) Å. These interactions as well as ion pairing and π–π stacking connect the various fragments into a supramolecular structure. |
format | Text |
id | pubmed-2915292 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2007 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29152922010-12-30 Propane-1,3-diaminium–2-carboxypyridine-6-carboxylate–pyridine-2,6-dicarboxylic acid–water (1/2/2/8) Soleimannejad, Janet Aghabozorg, Hossein Motyeian, Elham Ghadermazi, Mohammad Attar Gharamaleki, Jafar Adams, Harry Acta Crystallogr Sect E Struct Rep Online Organic Papers The title proton-transfer compound, C(3)H(12)N(2) (2+)·2C(7)H(4)NO(4) (−)·2C(7)H(5)NO(4)·8H(2)O or (pnH(2))(pydcH)(2).2(pydcH(2))·8H(2)O, was obtained by the reaction of pyridine-2,6-dicarboxylic acid (pydcH(2)) and propane-1,3-diamine (pn) in aqueous solution. Both neutral and monoanionic forms of the diacid are observed in the crystal structure. The negative charge of two monoanions is balanced by the dicationic propane-1,3-diaminium species. In addition, considerable π–π stacking interactions between the aromatic rings of the (pydcH)(−) and (pydcH(2)) fragments [with centroid–centroid distances of 3.5108 (11)–3.5949 (11) Å] are observed. The most important feature of this crystal structure is the presence of a large number of O—H⋯O, O—H⋯N, N—H⋯O, N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonds, with D⋯A ranging from 2.445 (2) to 3.485 (3) Å. These interactions as well as ion pairing and π–π stacking connect the various fragments into a supramolecular structure. International Union of Crystallography 2007-12-12 /pmc/articles/PMC2915292/ /pubmed/21200799 http://dx.doi.org/10.1107/S1600536807065270 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html. |
spellingShingle | Organic Papers Soleimannejad, Janet Aghabozorg, Hossein Motyeian, Elham Ghadermazi, Mohammad Attar Gharamaleki, Jafar Adams, Harry Propane-1,3-diaminium–2-carboxypyridine-6-carboxylate–pyridine-2,6-dicarboxylic acid–water (1/2/2/8) |
title | Propane-1,3-diaminium–2-carboxypyridine-6-carboxylate–pyridine-2,6-dicarboxylic acid–water (1/2/2/8) |
title_full | Propane-1,3-diaminium–2-carboxypyridine-6-carboxylate–pyridine-2,6-dicarboxylic acid–water (1/2/2/8) |
title_fullStr | Propane-1,3-diaminium–2-carboxypyridine-6-carboxylate–pyridine-2,6-dicarboxylic acid–water (1/2/2/8) |
title_full_unstemmed | Propane-1,3-diaminium–2-carboxypyridine-6-carboxylate–pyridine-2,6-dicarboxylic acid–water (1/2/2/8) |
title_short | Propane-1,3-diaminium–2-carboxypyridine-6-carboxylate–pyridine-2,6-dicarboxylic acid–water (1/2/2/8) |
title_sort | propane-1,3-diaminium–2-carboxypyridine-6-carboxylate–pyridine-2,6-dicarboxylic acid–water (1/2/2/8) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915292/ https://www.ncbi.nlm.nih.gov/pubmed/21200799 http://dx.doi.org/10.1107/S1600536807065270 |
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