Abstract
The title compound, [Cd(C8H4O4)(C12H8N2)(H2O)]n, is a new coordination polymer of benzene-1,4-dicarboxylate with cadmium(II) and 1,10-phenanthroline. The CdII ion is coordinated by two N atoms from the 1,10-phenanthroline molecule, three O atoms from two crystallographically independent benzene-1,4-dicarboxylate ligands and the O atom of a coordinated water molecule, forming a heavily distorted octahedron. The 1,10-phenanthroline ligand is approximately planar within 0.073 (4) Å. The two different benzene-1,4-dicarboxylate ligands each coordinate to two CdII ions in bidentate and monodentate modes, forming an infinite zigzag chain. Adjacent chains are packed tightly by strong π–π interactions [centroid–centroid distances = 3.851 (2) and 3.859 (2) Å] between the aromatic rings of the benzene-1,4-dicarboxylate ligand and the 1,10-phenanthroline of a neighboring chain, forming a sheet parallel to (011). Different sheets are linked together via O—H⋯O hydrogen bonds between the coordinated water molecules and the O atoms of the carboxylate groups, forming a three-dimensional network.
Highlights
The title compound, [Cd(C8H4O4)(C12H8N2)(H2O)]n, is a new coordination polymer of benzene-1,4-dicarboxylate with cadmium(II) and 1,10-phenanthroline
The CdII ion is coordinated by two N atoms from the 1,10-phenanthroline molecule, three O atoms from two crystallographically independent benzene-1,4-dicarboxylate ligands and the O
The CdII ion is coordinated by two N atoms from the 1,10-phenanthroline, three O atoms from two crystallographically independent benzene-1,4-dicarboxylate ligands, and one O atom of a water molecule (Fig. 1)
Summary
R factor = 0.033; wR factor = 0.081; data-to-parameter ratio = 15.1. The CdII ion is coordinated by two N atoms from the 1,10-phenanthroline molecule, three O atoms from two crystallographically independent benzene-1,4-dicarboxylate ligands and the O atom of a coordinated water molecule, forming a heavily distorted octahedron. The two different benzene-1,4-dicarboxylate ligands each coordinate to two CdII ions in bidentate and monodentate modes, forming an infinite zigzag chain. 3.859 (2) Å] between the aromatic rings of the benzene-1,4dicarboxylate ligand and the 1,10-phenanthroline of a neighboring chain, forming a sheet parallel to (011). Different sheets are linked together via O—H O hydrogen bonds between the coordinated water molecules and the O atoms of the carboxylate groups, forming a three-dimensional network. Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: EZ2152)
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