Crystal structure of bis[(μ2-hydroxo)-aqua-(1,10-phenanthroline- N,N')copper(II)] phenylacetate hexahydrate, [Cu(C₁₂H₈N₂)(OH)(H₂O)]₂[C₈H₇O₂]₂ · 6H₂O

Abstract

Source of materialDropwise addition of 1.0 ml of Na2CO3 (1 Msolution) to aaqueous solution of CuCl 2.·.2H2O( 0.170 g, 1.0 mmol) in 5.0 ml of H 2 Ogave ablue precipitate, which was separated by centrifugation and washed with water until no Cl anions were detectable in the supernatant. The collected blue precipitate was transferred to amixture solution of ethanol and water (1:1 v/v,10ml), to which 1,10-phenanthroline (phen, 0.198 g, 1.00 mmol) and phenyl-acetic acid (0.136 g, 1.00 mmol) were added successively. The resulting blue solution (pH =7.82) was allowed to stand at room temperature. Blue block-like crystals were grown by slow evaporation for over 7days. DiscussionThe crystal structure of the title compound is composed of a dinuclear cation [Cu(C 12H8N2)(OH)(H2O)]2 2+ ,a na nion (C 8 H 7 O 2 ) 2 2-and six lattice water molecules. The local coordination of copper(II) ion is tetragonal pyramidal. Two nitrogen atoms of phen and two hydroxyl oxygen atoms are located in the equatorial plane of the tetragonal pyramid with 2+ units indicate significant p-p stacking interactions making acontribution to formation of two-dimensional layers with the interplanner distance of neighboring aromatic rings is 3.17 Å.Inthe phenylacetate anion, two oxygen atoms are in acommon plane and six carbon atoms reside in the other plane, the dihedral angle between the being 26.5°. Through extensive hydrogen bonds between the carboxylate oxygen atoms of free phenyl-acetate, m 2 -OH-, guest and coordination water molecules, along with p-p stacking interactions, title compound exhibits at hree-dimensional supramolecular framework.