Crystal structures of difluoro[2-(4-methoxyphenyl)-3-oxo-3-phenylpropanalato]boron(III), [BF2(C16H13O3)], and bis[2-(4-methoxyphenyl)-3-oxo-3-phenylpropanalato]copper(II), [Cu(C16H13O3)2

Abstract

The crystal structures of difluoro[2-(4-methoxyphenyl)-3-oxo-3-phenylpropanalato]boron(III), [BF2(C16H13O3)], and bis[2-(4-methoxyphenyl)-3-oxo-3-phenylpropanalato]copper(II), [Cu(C16H13O3)2], have been determined by single-crystal X-ray diffraction methods. The structures were solved by direct methods and electron density calculations and were refined by the full-matrix least-squares method. Difluoro[2-(4-methoxyphenyl)-3-oxo-3-phenylpropanalato]-boron(III) crystallizes as yellow rhombs in the monoclinic space groupP21/c witha=11.429(3),b=11.364(4),c=11.412(4) A,β=92.19(2)°,V=1481.0(8) A3 andZ=4. A total of 2754 unique reflections were collected. Of these 1342 were considered observed [I>3σ(I)] leading to a finalR-value of 0.045. Boron is tetrahedrally coordinated to the two fluorine atoms and to two oxygen atoms of the bidentate 2-(4-methoxyphenyl)-3-oxo-3-phenylpropanalato ligand, C16H13O 3 − . Average bond distances: C-C (aromatic) 1.378(10) A, B-O 1.473(7) A and B-F 1.343(4) A. bis[2-(4-Methoxyphenyl)-3-oxo-3-phenylpropanalato]copper(II) crystallizes as dark yellow-green plates in the monoclinic space groupC2/c witha=23.410(7),b=13.856(3),c=8.039(3) A,β=101.79(2)°,V=2553(1) A3 andZ=4. Of the unique set of 3076 scanned reflections 2401 hadI>3σ(I) for whichR became 0.040. Copper is coordinated to four oxygen atoms, two from each of the two bidentate 2-(4-methoxyphenyl)-3-oxo-3-phenylpropanalato ligands, in a distorted square planar manner. The molecule hasC 2 symmetry. Average bond distances: C-C (aromatic) 1.383(6) A and Cu-O 1.896(8) A. The crystals of both compounds consist of monomeric molecular complexes held together by van der Waals forces.