AI Article Synopsis
- The title compound features a zinc (Zn) atom coordinated by two 1,10-phenanthroline ligands, one 4-bromo-benzoate ligand, and one water molecule, forming an octahedral geometry.
- The phen ligands are almost perfectly aligned with a dihedral angle of 85.7°, and they exhibit π-π stacking interactions due to their close inter-planar distances.
- The crystal structure contains hydrogen bonds and stacking interactions that create a three-dimensional network, with some disordered parts in the anions and water molecules.
Article 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.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009099 | PMC |
| http://dx.doi.org/10.1107/S160053681003864X | DOI Listing |
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