Abstract
In the title compound, {[Co(C9H4N2O4)(C12H8N2)(H2O)2]·1.5H2O}n, the CoII atom is hexacoordinated by one N atom and one O atom from two symmetry-related 1H-benzimidazole-5,6-dicarboxylate ligands, two N atoms from one 1,10-phenanthroline ligand (phen) and two water molecules. The dihedral angle between the 1H-benzimidazole-5,6-dicarboxylate and 1,10-phenanthroline ligands is 74.41 (4)°. The crystal packing is governed by intermolecular O—H⋯O and N—H⋯O hydrogen-bonding interactions. All water (coordinating and lattice) molecules take part in the hydrogen-bonding interactions. In addition, there are π–π stacking interactions between inversion-related phen ligands, the shortest centroid–centroid distance being 3.7536 (16) Å. One of the two lattice water molecules shows half-occupancy.
Highlights
In the title compound, {[Co(C9H4N2O4)(C12H8N2)(H2O)2]1.5H2O}n, the CoII atom is hexacoordinated by one N atom and one O atom from two symmetry-related 1H-benzimidazole-5,6-dicarboxylate ligands, two N atoms from one 1,10phenanthroline ligand and two water molecules
The crystal packing is governed by intermolecular O—H O and N—
Symmetry codes: (ii) −x+2, y−1/2, −z+3/2; (iii) x+1, y, z; (iv) −x+1, y−1/2, −z+3/2; (v) x, −y+1/2, z+1/2; (vi) x−1, y, z; (vii) −x+2, −y, −z+2
Summary
Key indicators: single-crystal X-ray study; T = 173 K; mean (C–C) = 0.003 Å; disorder in solvent or counterion; R factor = 0.036; wR factor = 0.090; data-toparameter ratio = 14.5. In the title compound, {[Co(C9H4N2O4)(C12H8N2)(H2O)2]1.5H2O}n, the CoII atom is hexacoordinated by one N atom and one O atom from two symmetry-related 1H-benzimidazole-5,6-dicarboxylate ligands, two N atoms from one 1,10phenanthroline ligand (phen) and two water molecules. The dihedral angle between the 1H-benzimidazole-5,6-dicarboxylate and 1,10-phenanthroline ligands is 74.41 (4). The crystal packing is governed by intermolecular O—H O and N—. All water (coordinating and lattice) molecules take part in the hydrogen-bonding interactions. There are – stacking interactions between inversion-related phen ligands, the shortest centroid–. One of the two lattice water molecules shows half-occupancy
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