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The crystal structure of 1,4,8,11,15,18,22,25-octa-butyloxyphthalocyanine was determined by X-ray diffraction methods. The crystal is of triclinic, space group P 1 with a = 14.0780(3), b = 14.3480(4), c = 17.0090(2) A, α = 72.156(2), β = 86.193(2), r= 73.655(2)°, C64H82N8O8, Mr = 1091.38, Z = 2, V = 3137.5(1) A3, Dc= 1.155 g/cm3, F(000) = 1172, μ(MoKα) = 0.077 mm-1, the final R = 0.0787 and wR = 0.2240 for 5795 observed reflections with I ≥ 2σ(I). The steric congestion between the neighboring butyloxy groups distorts the core of phthalocyanine into a saddle shape conformation. In the crystal lattice, molecules overlap to each other with π-π interaction but the extent of overlap is different along the three axial directions.
The crystal structure of 1,4,8,11,15,18,22,25-octa-butyloxyphthalocyanine was determined by X-ray diffraction methods. The crystal is of triclinic, space group P 1 with a = 14.0780 (3), a = 72.156 (2), β = 86.193 (2), r = 73.655 (2) °, C64H82N8O8, Mr = 1091.38, Z = 2, V = 3137.5 (1) A3, Dc = 1.155 g / cm3, F (000) = 1172, μ (MoKα) = 0.077 mm-1, the final R = 0.0787 and wR = 0.2240 for 5795 observed reflections with I ≥ 2σ (I). The steric congestion between the neighboring butyloxy groups distorts the core of phthalocyanine into a saddle shape conformation. In the crystal lattice, molecules overlap to each other with π-π interaction but the extent of overlap is different along the three axial directions.