Study of the Crystal Structure of Titanylphthalocyanine by Rietveld Analysis. II

Rietveld analysis with the Monte Carlo method was used to estimate the crystal structure parameters of one of the polymorphs of titanylphthalocyanine (TiOPc). This polymorph is called TiOPc type C (C-TiOPc), and it is a low-photosensitive pigment used in electrophotograpy. In order to determine the relationship between crystal structure and photosensitivity, the crystal structure of C-TiOPc was estimated. The most probable crystal structure is a monoclinic unit cell, space group Cc: a=2.519 nm, b=0.385 nm, c=2.546 nm, β=90.3°, Z=4, dcalc.=1.54 g/cm3.