Bis(2,5-dihydroxybenzoato-κO)bis(1,10-phenathroline-κ2N,N′)cadmium(II) 1.25-hydrate

Bing-Yu Zhang,Jing-Jing Nie,Duan-Jun Xu

doi:10.1107/s1600536808018126

Bing-Yu Zhang, Jing-Jing Nie + Show 1 more

Open Access

https://doi.org/10.1107/s1600536808018126

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Abstract

In the crystal structure of the title compound, [Cd(C7H5O4)2(C12H8N2)2]·1.25H2O, the Cd2+ cation is coordinated by two phenanthroline (phen) molecules and two 2,5-dihydroxybenzoate (dhba) anions in a distorted octahedral geometry. The centroid–centroid distances of 3.809 (2) and 3.680 (2) Å between nearly parallel pyridine rings of the phen ligands and the benzene rings of dhba anions indicate that the dhba anions are involved in π–π stacking in the crystal structure. The face-to-face separation of 3.35 (3) Å between parallel phen ring systems also suggests π–π stacking between adjacent complex molecules. The crystal structure contains extensive O—H⋯O and C—H⋯O hydrogen bonding.

Highlights

Data collectionKey indicators: single-crystal X-ray study; T = 295 K; mean (C–C) = 0.006 Å; disorder in solvent or counterion; R factor = 0.043; wR factor = 0.092; data-toparameter ratio = 13.9
In the crystal structure of the title compound, [Cd(C7H5O4)2(C12H8N2)2]1.25H2O, the Cd2+ cation is coordinated by two phenanthroline molecules and two 2,5-dihydroxybenzoate anions in a distorted octahedral geometry
Between nearly parallel pyridine rings of the phen ligands and the benzene rings of dhba anions indicate that the dhba anions are involved in – stacking in the crystal structure

Summary

Data collection

Key indicators: single-crystal X-ray study; T = 295 K; mean (C–C) = 0.006 Å; disorder in solvent or counterion; R factor = 0.043; wR factor = 0.092; data-toparameter ratio = 13.9. In the crystal structure of the title compound, [Cd(C7H5O4)2(C12H8N2)2]1.25H2O, the Cd2+ cation is coordinated by two phenanthroline (phen) molecules and two 2,5-dihydroxybenzoate (dhba) anions in a distorted octahedral geometry. The centroid–centroid distances of 3.809 (2) and 3.680 (2) Å between nearly parallel pyridine rings of the phen ligands and the benzene rings of dhba anions indicate that the dhba anions are involved in – stacking in the crystal structure. The faceto-face separation of 3.35 (3) Å between parallel phen ring systems suggests – stacking between adjacent complex molecules. The crystal structure contains extensive O—H O and C—H O hydrogen bonding

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