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.