Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhang, Guang-Ju, He, Jiang-Hong, Yan, Shi-Wei, Ye, Zhong-Li, Xin, Guang-Hua
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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
_version_ 1782204118502211584
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
work_keys_str_mv AT zhangguangju bis8ethyl5oxo2piperazin4ium1yl58dihydropyrido23dpyrimidine6carboxylicacid25dicarboxybenzene14dicarboxylateoctahydrate
AT hejianghong bis8ethyl5oxo2piperazin4ium1yl58dihydropyrido23dpyrimidine6carboxylicacid25dicarboxybenzene14dicarboxylateoctahydrate
AT yanshiwei bis8ethyl5oxo2piperazin4ium1yl58dihydropyrido23dpyrimidine6carboxylicacid25dicarboxybenzene14dicarboxylateoctahydrate
AT yezhongli bis8ethyl5oxo2piperazin4ium1yl58dihydropyrido23dpyrimidine6carboxylicacid25dicarboxybenzene14dicarboxylateoctahydrate
AT xinguanghua bis8ethyl5oxo2piperazin4ium1yl58dihydropyrido23dpyrimidine6carboxylicacid25dicarboxybenzene14dicarboxylateoctahydrate