title: A square-pyramidal copper(II) complex with strong intramolecular hydrogen bonds: diaqua(N,N'-dimethylformamide-κO)bis[2-(diphenylphosphoryl)benzoato-κO]copper(II).
abstract: In the title Cu(II) complex, [Cu(C19H14O3P)2(C3H7NO)(H2O)2], the molecule is bisected by a twofold axis relating the two 2-(diphenylphosphoryl)benzoate (ODPPB) ligands. The asymmetric unit consists of a Cu(II) metal centre on the symmetry axis, an ODPPB ligand, one water ligand and one dimethylformamide (DMF) ligand (disordered around the twofold axis). The Cu(II) ion has fivefold coordination provided by two carboxylate O atoms from two ODPPB ligands, two O atoms from two coordinated water molecules and another O atom from a (disordered) DMF molecule, giving a CuO5 square-pyramidal coordination geometry. The ODPPB ligand adopts a terminal monocoordinated mode with two free O atoms forming two strong intramolecular hydrogen bonds with the coordinated water molecules, which may play a key role in the stability of the molecular structure, as shown by the higher release temperature for the coordinated water molecules than for the coordinated DMF molecule. The optical absorption properties of powder samples of the title compound have also been studied.
authors: College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018, People's Republic of China.
authors: Mengbo
authors: M
authors: Zhou
authors: Li
authors: L
authors: Song
authors: Feng
authors: F
authors: Niu
authors: Kangying
authors: K
authors: Shu
authors: Wenxiang
authors: W
authors: Chai
mesh_terms: D056831:Coordination Complexes / Q000737:chemistry*; D003300:Copper / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008024:Ligands; D015394:Molecular Structure; D014867:Water
chemical_list: C583143:(N,N'-dimethylformamide-kappaO)bis(2-(diphenylphosphoryl)benzoato-kappaO)copper(II); D056831:Coordination Complexes; D008024:Ligands; D014867:Water; D003300:Copper