Acta Cryst. (2012). E68, m1199-m1200
[ doi:10.1107/S1600536812035544 ]

Triaqua[2,2'-(propane-1,3-diyl)bis(5-carboxy-1H-imidazole-4-carboxylato-²N³,O⁴)]calcium(II) tetrahydrate

L.-Z. Du and X. Li

Abstract: In the title compound, [Ca(C₁₃H₁₀N₄O₈)(H₂O)₃]·4H₂O, the Ca^II ion is hepta-coordinated by two N atoms and two O atoms from a tetradentate 1,3-bis-(1H-imidazole-4,5-dicarboxylate) propane dianion and three water O atoms, giving a distorted pentagonal-bipyramidal coordination environment. The Ca-O bond lengths are in the range 2.354 (3)-2.453 (2) Å, while the Ca-N bond lengths are in the range 2.523 (2)-2.548 (2) Å. An intramolecular O-HO hydrogen bond between the carboxy and carboxylate groups stabilizes the molecular configuration. A three-dimensional network of N-HO and O-HO hydrogen bonds help to stabilize the crystal packing.

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