Crystal structure of pyridine and methanol axially coordinated 1,4,8,11,15,18,22,25- octabutyloxyphthalocyaninatocobalt(II)(viz. a-octabutyloxyphthalocyaninatocobalt) {[(n-BuO)8Pc]· Co(Py)(MeOH)} (1) was determined by X-ray diffraction methods. Crystal data: monoclinic, space group P21/n, Z = 4, a = 1.06482(4), b = 3.5487(2), c = 1.79428(9) nm, b = 103.246(2)? V = 6.5792(5) nm3, m = 0.325 mm-1. The result shows that the ring skeleton of 1 maintains planar con-formation, which is similar to that of unsubstituted phthalocyanine but is remarkably different from the saddle shape conformation of 1,4,8,11,15,18,22,25-octabutyloxyphthalocyaninatocopper (II) {[(n-BuO)8Pc]Cu}(2), which has no axial coordination. In the structure of 1, the substituents buty-loxy groups of 1 somewhat deviate from the ring plane, while pyridine and methanol are coordi-nated to the center atom Co from opposite sides of the ring plane. In addition, all molecules are stacked along axis a to form one-dimensional molecule chain, the neighboring molecules in the chain overlap to some extent with a benzene ring and a distance of 0.3565 nm.
Crystal structure of 1, 4, 8, 11, 15, 18, 22, 25-octa-butoxyphthalocyaninatocopper (Ⅱ) (1) was determined by X-ray diffraction methods. The crystal system is mono-clinic, space group is P21/c, Z = 4, a = 1.3741(1) nm, b = 2.6737(1) nm, c = 1.6690(1) nm, β=101.278(1)°. The steric congestion between the neighbouring butoxyl groups causes the distortion of the ring core of phthalocyanine (Pc) into a saddle shape conformation. In the crystal structure, molecules stack along a axis forming one-dimensional packing structure and there are two molecular overlap types which appear in turn with different distances between molecules, overlap area and angle.
CAI Jinwan, WANG Jundong, HUANG Jinling & CHEN NaishengInstitute of Research on Functional Materials, Department of Chemistry, Fuzhou University, Fuzhou 350002, China
