1,4-Diazo­niacyclo­hexane bis­(3-carb­oxy­pyrazine-2-carboxyl­ate) dihydrate

In the title compound, C(4)H(12)N(2) (2+)·2C(6)H(3)N(2)O(4) (−)·2H(2)O or (1,4-dacH(2))(pyzdcH)(2)·2H(2)O, the complete dication is generated by crystallographic inversion symmetry. An intra­molecular O—H⋯O hydrogen bond occurs in the anion. In the crystal, O—H⋯O, O—H⋯N, N—H⋯O and N—H⋯N hydrogen bon...

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Autores principales: Eshtiagh-Hosseini, Hossein, Alfi, Nafiseh, Mirzaei, Masoud, Necas, Marek
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009147/
https://www.ncbi.nlm.nih.gov/pubmed/21589002
http://dx.doi.org/10.1107/S1600536810040109
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author Eshtiagh-Hosseini, Hossein
Alfi, Nafiseh
Mirzaei, Masoud
Necas, Marek
author_facet Eshtiagh-Hosseini, Hossein
Alfi, Nafiseh
Mirzaei, Masoud
Necas, Marek
author_sort Eshtiagh-Hosseini, Hossein
collection PubMed
description In the title compound, C(4)H(12)N(2) (2+)·2C(6)H(3)N(2)O(4) (−)·2H(2)O or (1,4-dacH(2))(pyzdcH)(2)·2H(2)O, the complete dication is generated by crystallographic inversion symmetry. An intra­molecular O—H⋯O hydrogen bond occurs in the anion. In the crystal, O—H⋯O, O—H⋯N, N—H⋯O and N—H⋯N hydrogen bonds result in the formation of a three-dimensional network. Additionally, π–π stacking inter­actions between the pyrazine rings with centroid–centroid distances of 3.7065 (2) Å are observed.
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spelling pubmed-30091472010-12-30 1,4-Diazo­niacyclo­hexane bis­(3-carb­oxy­pyrazine-2-carboxyl­ate) dihydrate Eshtiagh-Hosseini, Hossein Alfi, Nafiseh Mirzaei, Masoud Necas, Marek Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(4)H(12)N(2) (2+)·2C(6)H(3)N(2)O(4) (−)·2H(2)O or (1,4-dacH(2))(pyzdcH)(2)·2H(2)O, the complete dication is generated by crystallographic inversion symmetry. An intra­molecular O—H⋯O hydrogen bond occurs in the anion. In the crystal, O—H⋯O, O—H⋯N, N—H⋯O and N—H⋯N hydrogen bonds result in the formation of a three-dimensional network. Additionally, π–π stacking inter­actions between the pyrazine rings with centroid–centroid distances of 3.7065 (2) Å are observed. International Union of Crystallography 2010-10-13 /pmc/articles/PMC3009147/ /pubmed/21589002 http://dx.doi.org/10.1107/S1600536810040109 Text en © Eshtiagh-Hosseini et al. 2010 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
Eshtiagh-Hosseini, Hossein
Alfi, Nafiseh
Mirzaei, Masoud
Necas, Marek
1,4-Diazo­niacyclo­hexane bis­(3-carb­oxy­pyrazine-2-carboxyl­ate) dihydrate
title 1,4-Diazo­niacyclo­hexane bis­(3-carb­oxy­pyrazine-2-carboxyl­ate) dihydrate
title_full 1,4-Diazo­niacyclo­hexane bis­(3-carb­oxy­pyrazine-2-carboxyl­ate) dihydrate
title_fullStr 1,4-Diazo­niacyclo­hexane bis­(3-carb­oxy­pyrazine-2-carboxyl­ate) dihydrate
title_full_unstemmed 1,4-Diazo­niacyclo­hexane bis­(3-carb­oxy­pyrazine-2-carboxyl­ate) dihydrate
title_short 1,4-Diazo­niacyclo­hexane bis­(3-carb­oxy­pyrazine-2-carboxyl­ate) dihydrate
title_sort 1,4-diazo­niacyclo­hexane bis­(3-carb­oxy­pyrazine-2-carboxyl­ate) dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009147/
https://www.ncbi.nlm.nih.gov/pubmed/21589002
http://dx.doi.org/10.1107/S1600536810040109
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