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Bis(2,5-dihydroxy-benzoato-?O)bis-(1,10-phenathroline-?N,N')cadmium(II) 1.25-hydrate.

ABSTRACT: In the crystal structure of the title compound, [Cd(C(7)H(5)O(4))(2)(C(12)H(8)N(2))(2)]·1.25H(2)O, the Cd(2+) cation is coordinated by two phenanthroline (phen) mol-ecules and two 2,5-dihydroxy-benzoate (dhba) anions in a distorted octa-hedral 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 face-to-face separation of 3.35?(3)?Å between parallel phen ring systems also suggests ?-? stacking between adjacent complex mol-ecules. The crystal structure contains extensive O-H?O and C-H?O hydrogen bonding.

SUBMITTER: Zhang BY

PROVIDER: S-EPMC2961672 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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Bis(2,5-dihydroxy-benzoato-κO)bis-(1,10-phenathroline-κN,N')cadmium(II) 1.25-hydrate.

Zhang Bing-Yu BY Nie Jing-Jing JJ Xu Duan-Jun DJ

Acta crystallographica. Section E, Structure reports online 20080619 Pt 7

In the crystal structure of the title compound, [Cd(C(7)H(5)O(4))(2)(C(12)H(8)N(2))(2)]·1.25H(2)O, the Cd(2+) cation is coordinated by two phenanthroline (phen) mol-ecules and two 2,5-dihydroxy-benzoate (dhba) anions in a distorted octa-hedral 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 ...[more]

PMID: 21202790

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Bis(3,5-dicarboxy-benzoato-κO,O')(1,10-phenanthroline-κN,N')cadmium(II).

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Project description:In the title binuclear complex, [Fe(2)(C(8)H(7)O(2))(4)(C(12)H(8)N(2))(2)(H(2)O)], the Fe(II) ion is six-coordinated by three carboxylate O atoms from three 4-methyl-benzoate ligands, two N atoms from two 1,10-phenanthroline ligands and one bridging aqua ligand in a distorted octa-hedral geometry. The coordinated water mol-ecule acting as the bridging ligand is located on a twofold axes and the complex mol-ecule displays C(2) mol-ecular symmetry. The Fe⋯Fe separation in the binuclear complex is 3.490 (3) Å. The crystal structure is stabilized by hydrogen bonding and π-π stacking inter-actions [the centroid-centroid distance between adjacent 1,10-phenanthroline ring systems is 3.653 (2) Å, and that between the 1,10-phenanthroline ring system and the phenyl ring of the 4-methyl-benzoate unit of a neighbouring complex is 3.622 (3) Å].

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