Catena-Poly[[[aquabis(1H-imidazole-κN3)copper(II)]-μ-naphthalene-1,4-dicarboxylato-κ2O1:O4] dihydrate

Jun-Hua Li,Duan-Jun Xu,Jing-Jing Nie

doi:10.1107/s1600536808018515

Jun-Hua Li, Duan-Jun Xu + Show 1 more

Open Access

https://doi.org/10.1107/s1600536808018515

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Abstract

In the title compound, {[Cu(C12H6O4)(C3H4N2)2(H2O)]·2H2O}n, the CuII cation is coordinated by two naphthalene-1,4-dicarboxylate (naph) dianions, two imidazole molecules and one water molecule in a distorted square-pyramidal geometry. The Cu—O bond distance in the apical direction is 0.509 (3) Å longer than the mean Cu—O bond distance in the basal plane. The naph dianion bridges two CuII cations, forming a one-dimensional polymeric chain. The coordinated water molecule is hydrogen-bonded to the carboxylate groups and imidazole ligands of adjacent polymeric chains, forming a three-dimensional supramolecular structure. No π–π stacking is observed in the crystal structure. One solvent water molecule is disordered equally over two positions.

Highlights

In the title compound, {[Cu(C12H6O4)(C3H4N2)2(H2O)]Á2H2O}n, the CuII cation is coordinated by two naphthalene1,4-dicarboxylate dianions, two imidazole molecules and one water molecule in a distorted square-pyramidal geometry
The coordinated water molecule is hydrogen-bonded to the carboxylate groups and imidazole ligands of adjacent polymeric chains, forming a three-dimensional supramolecular structure
Symmetry codes: (iii) x−1/2, −y+1/2, z−1/2; (iv) −x+1/2, y−1/2, −z+3/2; (v) −x+1, −y+1, −z+1; (vi) x, y, z−1; (vii) −x+3/2, y−1/2, −z+3/2

Summary

Structure Reports Online

Key indicators: single-crystal X-ray study; T = 295 K; mean (C–C) = 0.004 A; disorder in solvent or counterion; R factor = 0.036; wR factor = 0.098; data-toparameter ratio = 14.2. In the title compound, {[Cu(C12H6O4)(C3H4N2)2(H2O)]Á2H2O}n, the CuII cation is coordinated by two naphthalene1,4-dicarboxylate (naph) dianions, two imidazole molecules and one water molecule in a distorted square-pyramidal geometry. The naph dianion bridges two CuII cations, forming a one-dimensional polymeric chain. The coordinated water molecule is hydrogen-bonded to the carboxylate groups and imidazole ligands of adjacent polymeric chains, forming a three-dimensional supramolecular structure. No – stacking is observed in the crystal structure. One solvent water molecule is disordered over two positions. See: Derissen et al (1979); Li et al (2008)

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