Synthesis and Crystal Structure of a New Copper(II) Complex with 4-Cyanobenzoic Acid

1 INTRODUCTION Exploration on the syntheses and properties of car- boxylate complexes, especially aromatic carboxylate complexes, has always been a fascinating and chal- lenging research field for decades either in coor- dination chemistry or in functional materials1, 2]. Cy- anobenzoic acid (Hcba) possessing two functional coordination groups should display structural diver- sities on the formation of complexes3～15]. In particu- lar, the copper(II) carboxylate complexes bearing spe- …

Synthesis and Crystal Structure of a New Copper(II) Complex with 4-Cyanobenzoic Acid

A new Cu(II) complex Cu(4-cba)(1,10-phen)(H2O)2](NO3) (4-Hcba = 4-cyanobe- nzoic acid) has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100 ℃ and structurally characterized by single-crystal X-ray diffraction. Crystallographic data: C20H16Cu- N4O7, Mr = 487.91, triclinic, space group P1, a = 7.8420(2), b = 9.1070(2), c = 15.1140(6) ?, α = 76.889(9), β = 81.332(11), γ = 74.844(11)°, V = 1009.89(5) ?3, Z = 2, Dc = 1.605 g/cm3, F(000) = 498, μ = 1.134 mm–1, the final R = 0.0379 and wR = 0.0865 for 2977 observed reflections with I > 2σ(I). The Cu(II) atom is coordinated by two terminal water molecules, one chelating 1,10-phen molecule and one monodentate 4-cba ligand to form a slightly distorted square pyramid. The title complex molecules are connected through hydrogen bonds and π-π stacking interactions to generate a 2D layered network. The thermogravimetric analysis of the title complex has also been discussed.