Abstract
The reaction of copper(II) nitrate hexahydrate with pyridine-2,6-dicarboxylic acid (pydcH2) and 2,4,6-triamino-1,3,5-triazine (melamine) in aqueous solution in a 1:2:2 molar ratio gave the title compound, (H5O2)(C3H7N6)3[Cu(C7H3NO4)2]2·C7H5NO4·6H2O. The hydroxonium hydrate (H5O2)+, also known as the Zundel cation, resides on a twofold rotation axis. The O—H distance is 1.274 (14) Å, the O⋯O distance is 2.518 (5) Å, and the O—H—O angle is 162 (8)°. One of the melamine H+ cations, the uncoordinated pydcH2, and two water molecules also reside on crystallographic twofold axes. The CuII atom has a tetragonally distorted octahedral coordination environment. The structure features extensive hydrogen bonding, with 21 distinct interactions. There is also a centrosymmetric C=O⋯π interaction with an O⋯centroid distance of 3.288 (3) Å. The structure is similar to a mixed-valence manganese(II/III) structure but shows interesting differences in the metal-atom coordination. One of the water molecules is equally disordered with respect to a twofold axis.
Highlights
2.518 (5) Å, and the O—H—O angle is 162 (8)
One of the melamine H+ cations, the uncoordinated pydcH2, and two water molecules reside on crystallographic twofold axes
One of the water molecules is disordered with respect to a twofold axis
Summary
Hydroxonium hydrate tris(2,4,6-triamino-1,3,5-triazin-1-ium) bis[bis(pyridine-2,6-dicarboxylato)cuprate(II)] pyridine-2,6-dicarboxylic acid hexahydrate. Hooshmandd a Faculty of Chemistry, Tarbiat Moallem University, 49 Mofateh Avenue, Tehran, Iran, Department of Chemistry, University of California, One Shields Avenue, Davis, CA. 95616, USA, cFaculty of Science, Department of Chemistry, Islamic Azad University, Khorramabad Branch, Khorramabad, Iran, and dDepartment of Chemistry, Ilam. Key indicators: single-crystal X-ray study; T = 180 K; mean (C–C) = 0.004 Å; disorder in solvent or counterion; R factor = 0.035; wR factor = 0.096; data-toparameter ratio = 10.0
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