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Aqua-(4-bromo-benzoato-κO)bis-(1,10-phenanthroline-κN,N')zinc(II) 4-bromo-benzoate 1.5-hydrate.

Zhang BS, Ye SF, Li YX, Xu W - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: The mean inter-planar distances of 3.36 (2) and 3.41 (3) Å between adjacent phen ligands indicate π-π stacking inter-actions.One carboxyl-ate O atom and two Br atoms are each disordered over two sites, with occupancy factors of 0.60 and 0.40.An intra-molecular O-H⋯·O hydrogen bond is observed in the cation.

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ABSTRACT
In the title compound, [Zn(C(7)H(4)BrO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)BrO(2))·1.5H(2)O, the Zn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromo-benzoate ligand and one water mol-ecule, completing a distorted ZnN(4)O(2) octa-hedral geometry. The two phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations = 0.027 and 0.031 Å), making a dihedral angle of 85.7 (1)°. The mean inter-planar distances of 3.36 (2) and 3.41 (3) Å between adjacent phen ligands indicate π-π stacking inter-actions. The uncoordinated water mol-ecules are partly occupied. One carboxyl-ate O atom and two Br atoms are each disordered over two sites, with occupancy factors of 0.60 and 0.40. In the crystal structure, O-H⋯O and C-H⋯O hydrogen bonds and π-π stacking inter-actions link the complex cations, uncoordinated 4-bromo-benzoate anions and water mol-ecules into a three-dimensional supra-molecular network. An intra-molecular O-H⋯·O hydrogen bond is observed in the cation.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. The uncoordinated water molecules are omitted for clarity.
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Fap1: The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. The uncoordinated water molecules are omitted for clarity.


Aqua-(4-bromo-benzoato-κO)bis-(1,10-phenanthroline-κN,N')zinc(II) 4-bromo-benzoate 1.5-hydrate.

Zhang BS, Ye SF, Li YX, Xu W - Acta Crystallogr Sect E Struct Rep Online (2010)

The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. The uncoordinated water molecules are omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3009099&req=5

Fap1: The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. The uncoordinated water molecules are omitted for clarity.
Bottom Line: The mean inter-planar distances of 3.36 (2) and 3.41 (3) Å between adjacent phen ligands indicate π-π stacking inter-actions.One carboxyl-ate O atom and two Br atoms are each disordered over two sites, with occupancy factors of 0.60 and 0.40.An intra-molecular O-H⋯·O hydrogen bond is observed in the cation.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, [Zn(C(7)H(4)BrO(2))(C(12)H(8)N(2))(2)(H(2)O)](C(7)H(4)BrO(2))·1.5H(2)O, the Zn(II) atom is coordinated by four N atoms from two chelating 1,10-phenanthroline (phen) ligands, one O atom from a 4-bromo-benzoate ligand and one water mol-ecule, completing a distorted ZnN(4)O(2) octa-hedral geometry. The two phen ligands exhibit nearly perfect coplanarity (r.m.s. deviations = 0.027 and 0.031 Å), making a dihedral angle of 85.7 (1)°. The mean inter-planar distances of 3.36 (2) and 3.41 (3) Å between adjacent phen ligands indicate π-π stacking inter-actions. The uncoordinated water mol-ecules are partly occupied. One carboxyl-ate O atom and two Br atoms are each disordered over two sites, with occupancy factors of 0.60 and 0.40. In the crystal structure, O-H⋯O and C-H⋯O hydrogen bonds and π-π stacking inter-actions link the complex cations, uncoordinated 4-bromo-benzoate anions and water mol-ecules into a three-dimensional supra-molecular network. An intra-molecular O-H⋯·O hydrogen bond is observed in the cation.

No MeSH data available.


Related in: MedlinePlus