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Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb-oxy-lic acid] 2,5-dicarb-oxy-benzene-1,4-di-carboxyl-ate octa-hydrate.

ABSTRACT: 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-benzene-tetra-carb-oxy-lic acid and Hppa = 8-ethyl-5-oxo-2-piperazin-1-yl-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb-oxy-lic acid) that is completed by inversion symmetry and four water mol-ecules. In the crystal, the mol-ecules are connected by inter-molecular hydrogen-bonding inter-actions 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 supra-molecular structure.

SUBMITTER: Zhang GJ

PROVIDER: S-EPMC3099930 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-(3-Carb-oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 4-carb-oxy-benzoate-benzene-1,4-dicarb-oxy-lic acid (2/1).

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