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Tris(1,10-phenanthroline-κN,N')zinc(II) bis-(4-bromo-benzoate) 6.5-hydrate.

ABSTRACT: In the title compound, [Zn(C(12)H(8)N(2))(3)](C(7)H(4)BrO(2))(2)·6.5H(2)O, the Zn(II) atom is coordinated by six N atoms from three 1,10-phenanthroline (phen) mol-ecules in a distorted octa-hedral geometry. The chelating phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations of 0.048, 0.039 and 0.061 Å). The mean inter-planar distances of 3.51 (2) and 3.54 (4) Å between adjacent phen ligands indicate π-π stacking inter-actions, which connect the complex cations into chains along [101]. The 4-bromo-benzoate anions and the uncoordinated water mol-ecules, parts of which are not fully occupied, are linked by O-H⋯O hydrogen bonds. Two carboxyl-ate O atoms and one Br atom in the 4-bromo-benzoate anions are each disordered over two sites with occupancy factors of 0.60 and 0.40.

SUBMITTER: Ye SF

PROVIDER: S-EPMC2983930 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

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Tris(1,10-phenanthroline-κN,N')zinc(II) bis-(4-bromo-benzoate) 6.5-hydrate.

Ye Su-Fang SF Zhang Bi-Song BS

Acta crystallographica. Section E, Structure reports online 20100331 Pt 4

In the title compound, [Zn(C(12)H(8)N(2))(3)](C(7)H(4)BrO(2))(2)·6.5H(2)O, the Zn(II) atom is coordinated by six N atoms from three 1,10-phenanthroline (phen) mol-ecules in a distorted octa-hedral geometry. The chelating phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations of 0.048, 0.039 and 0.061 Å). The mean inter-planar distances of 3.51 (2) and 3.54 (4) Å between adjacent phen ligands indicate π-π stacking inter-actions, which connect the complex cations into chains along [101 ...[more]

PMID: 21580556

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