Molecular Structure Description
When the functional groups bound to the terminal region of the molecules, this situation results in significant discrepancy in the 3D molecular structure and molecular packaging. The types of crystal packagings are determined by single crystal analysis and this discrepancy is very important in the determining charge transport properties of the molecules in the optoelectronic field. Therefore, the single x-ray diffraction analysis (SCXRD) was performed to analyze charge transport properties of AB1 and AB2 molecules by utilising their 3D molecular structures and packing arrangements in solid phase. Thermal ellipsoid views of the both molecules are presented in Figure 1. Table 2 shows selected bond lengths and angles of the molecules which are very compatible similar studies in the literature[54–56]. Beside, geometrical parameters of both compounds compared with the results obtained from theoretical calculations. SCXRD bring to light that AB1 andAB2 crystallize in the monoclinic space group C2/c and triclinic space group P-1, respectively.