Crystal Structure, Spectroscopic and Thermal Properties of [Zn(Lap)2(DMF)(H2O)] and Isomorphous [M(Lap)2]n (M: Cd, Mn) Complexes

R. A. FARFÁN; J. A. ESPÍNDOLA; M. I. GÓMEZ; M. C. L. DE JIMÉNEZ; O. E. PIRO; E. E. CASTELLANO ; M. A. MARTÍNEZ

JOURNAL OF MOLECULAR STRUCTURE

ELSEVIER SCIENCE BV

Lugar: Amsterdam; Año: 2015 vol. 1087 p. 80 - 87

0022-2860

The crystal and molecular structure of the lapacholate complexes with Zn(II), Cd(II) and Mn(II) were determined by X-ray diffraction methods. [Zn(Lap)2(DMF)(H2O)] crystallizes in the triclinic space group Pī with a = 10.5051(4), b = 12.8020(4), c = 13.0394(4) Å, = 60.418(2),  = 83.904(2),  = 86.206(2)°, and Z=2 molecules per unit cell and isostructural [M(Lap)2]n (M: Cd, Mn) complexes in the tetragonal space group P43212 with a = b = 13.5770(6) Å, c = 14.5730(6) Å for the Cd complex, and a = b = 13.3539(4), c = 14.7148(4) Å for the Mn complex, and Z = 4 molecules per unit cell. The structures were solved from 4984 (Zn), 2252 (Cd) and 2330 (Mn) reflections with I>2σ(I) and refined by full matrix least-square to agreement R1-factors of 0.0452 (Zn), 0.0315 (Cd) and 0.0333 (Mn). In [Zn(Lap)2(DMF)(H2O)], the Zn(II) ion is in a distorted octahedral environment coordinated to two different and nearly perpendicular Lap molecules acting as bidentate ligands through their adjacent carbonyl and phenol oxygen atoms. The remaining two cis-coordination sites are occupied by water and DMF molecules. [M(Lap)2]n (M: Cd, Mn) isostructural complexes are also octahedral and present a supra-molecular arrangement in the lattice. There is only one independent Lap molecule that coordinates the metal through all three ligand binding sites, giving rise to a 3-D structure of [M(Lap)2]n complexes that extends throughout the crystal lattice.