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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...

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Autores principales: Soleimannejad, Janet, Aghabozorg, Hossein, Motyeian, Elham, Ghadermazi, Mohammad, Attar Gharamaleki, Jafar, Adams, Harry
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2007
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.
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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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