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Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid] 2,5-dicarboxybenzene-1,4-dicarboxylate octahydrate
The asymmetric unit of the title compound, 2C(14)H(18)N(5)O(3) (+)·C(10)H(5)O(8) (2−)·8H(2)O, contains one [H(2)ppa](+)cation, one half of an [H(2)btec](2−) anion (H(4)btec = 1,2,4,5-benzenetetracarboxylic acid and Hppa = 8-ethyl-5-oxo-2-piperazin-1-yl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carb...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099930/ https://www.ncbi.nlm.nih.gov/pubmed/21754029 http://dx.doi.org/10.1107/S1600536811011068 |
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author | Zhang, Guang-Ju He, Jiang-Hong Yan, Shi-Wei Ye, Zhong-Li Xin, Guang-Hua |
author_facet | Zhang, Guang-Ju He, Jiang-Hong Yan, Shi-Wei Ye, Zhong-Li Xin, Guang-Hua |
author_sort | Zhang, Guang-Ju |
collection | PubMed |
description | The asymmetric unit of the title compound, 2C(14)H(18)N(5)O(3) (+)·C(10)H(5)O(8) (2−)·8H(2)O, contains one [H(2)ppa](+)cation, one half of an [H(2)btec](2−) anion (H(4)btec = 1,2,4,5-benzenetetracarboxylic acid and Hppa = 8-ethyl-5-oxo-2-piperazin-1-yl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid) that is completed by inversion symmetry and four water molecules. In the crystal, the molecules are connected by intermolecular hydrogen-bonding interactions and π–π stacking between the benzene rings of the [H(2)btec](2−) anion and the pyrimidine rings of the [H(2)ppa](+) cation [centroid–centroid distance = 3.597 (3) Å], generating a three-dimensional supramolecular structure. |
format | Text |
id | pubmed-3099930 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30999302011-07-13 Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid] 2,5-dicarboxybenzene-1,4-dicarboxylate octahydrate Zhang, Guang-Ju He, Jiang-Hong Yan, Shi-Wei Ye, Zhong-Li Xin, Guang-Hua Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, 2C(14)H(18)N(5)O(3) (+)·C(10)H(5)O(8) (2−)·8H(2)O, contains one [H(2)ppa](+)cation, one half of an [H(2)btec](2−) anion (H(4)btec = 1,2,4,5-benzenetetracarboxylic acid and Hppa = 8-ethyl-5-oxo-2-piperazin-1-yl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid) that is completed by inversion symmetry and four water molecules. In the crystal, the molecules are connected by intermolecular hydrogen-bonding interactions and π–π stacking between the benzene rings of the [H(2)btec](2−) anion and the pyrimidine rings of the [H(2)ppa](+) cation [centroid–centroid distance = 3.597 (3) Å], generating a three-dimensional supramolecular structure. International Union of Crystallography 2011-03-31 /pmc/articles/PMC3099930/ /pubmed/21754029 http://dx.doi.org/10.1107/S1600536811011068 Text en © Zhang et al. 2011 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 Zhang, Guang-Ju He, Jiang-Hong Yan, Shi-Wei Ye, Zhong-Li Xin, Guang-Hua Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid] 2,5-dicarboxybenzene-1,4-dicarboxylate octahydrate |
title | Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid] 2,5-dicarboxybenzene-1,4-dicarboxylate octahydrate |
title_full | Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid] 2,5-dicarboxybenzene-1,4-dicarboxylate octahydrate |
title_fullStr | Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid] 2,5-dicarboxybenzene-1,4-dicarboxylate octahydrate |
title_full_unstemmed | Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid] 2,5-dicarboxybenzene-1,4-dicarboxylate octahydrate |
title_short | Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid] 2,5-dicarboxybenzene-1,4-dicarboxylate octahydrate |
title_sort | bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid] 2,5-dicarboxybenzene-1,4-dicarboxylate octahydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099930/ https://www.ncbi.nlm.nih.gov/pubmed/21754029 http://dx.doi.org/10.1107/S1600536811011068 |
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