Two Mononuclear Compounds with bis(Pyrimidin-2-yl)amine as a Ligand and as a Hydrogen-bonded Lattice Molecule. Synthesis, Structure and Spectroscopy of {[M(dipm)(H₂O)(A)](dipm)(A)(H₂O)} (M?=?Cd with A?=?ClO₄; and Zn w

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• 作者：Gerard A. van Albada ; Maarten G. van der Horst ; Ilpo Mutikainen ; Urho Turpeinen and Jan Reedijk
• 关键词：Crystal structure ; Cadmium ; Zinc ; Hydrogen bond ; Dinuclear
• 刊名：Journal of Chemical Crystallography
• 出版年：2008
• 出版时间：July, 2008
• 年：2008
• 卷：38
• 期：7
• 页码：519-523
• 全文大小：335.4 KB

文摘

Abstract Two isostructural mononuclear compounds with formula {[Cd(dipm)(H₂O)(ClO₄)](dipm)(ClO₄)(H₂O)} (1) {[Zn(dipm)(H₂O)(BF₄)](dipm)(BF₄)(H₂O)} (2) and (in which dipm = bis(pyrimidin-2-yl)amine) have been synthesised and characterised by X-ray crystallography and infrared spectroscopy. The structure of compound 1 has been solved in the space group P2₁/n with a = 18.860(4), b = 8.579(2), c = 20.917(4) ?, β = 101.33(3)¡ã, V = 3318.4(12) ?3, Z = 4 with final R = 0.0454. The structure of compound 2 has also been solved in the space group P2₁/n with a = 19.026(4), b = 8.389(1), c = 20.720(4) ?, β = 101.37(3)¡ã, V = 3242.2(10) ?3, Z = 4 with final R = 0.0689. The geometry around the metal ions is octahedral, and is constituted by four nitrogen atoms from two dipm molecules, an oxygen atom from a water molecule and a semi-coordinating anion atom (O_ClO4 O_{{\rm ClO}_{4}} for compound 1 and F_BF4 F_{{\rm BF}_{4}} for compound 2). In the lattice are also present: a non-coordinating water molecule, an anion molecule and a dipm molecule. For compound 1, the Cd–N distances are between 2.296 and 2.328 ?. The Cd-O_H2O \hbox{Cd}{-}\hbox{O}_{{\rm H}_{2}{\rm O}} distance is 2.310 ? and the Cd-O_ClO4 \hbox{Cd}{-}\hbox{O}_{{\rm ClO}_{4}} is 2.477 ?. The Zn–N distances in compound 2 are between 2.121 and 2.164 ?. The Zn-O_H2O \hbox{Zn}{-}\hbox{O}_{{\rm H}_{2}{\rm O}} distance is 2.147 ? and the Zn-F_BF4 \hbox{Zn}{-}\hbox{F}_{{\rm BF}_{4}} distance is 2.373 ?. A hydrogen bond interaction of the Watson–Crick type is observed between the amine N atom of a dipm ligand to a pyrimidyl N atom and a non-coordinating dipm ligand with N¡¤¡¤¡¤N distances, which vary from 3.066(5) to 3.109(5) ?. Furthermore medium to strong hydrogen bond interactions are present between oxygen atoms of the water molecules and the anions of the compounds.