A theoretical investigation of molecular ordering of smectic C liquid crystals C8H17O-C6H4-C-6H4-COO-C6H4-OC8H17 (A), C9H19O-C6H4-COO- C6H4-COO-C6H4-NO2 (B) and its binary mixtures {A+B} has been carried out by the method based on the Rayleigth-Schrodinger perturbation theory. The mutual arrangement of two molecules corresponding to the minimum of the total interaction energy between them U-pair has been established, The curves of the dependence of U-pair and its various contributions on displacement of molecules from each other along the molecular long X-axis and angle theta between molecules' long axes has been also computed in the minimum point vicinity. The obtained results make it possible to determine the peculiarities of the structural organization of molecules, as well as to construct a model of the structure of A and B compounds in different phases taking into account the most probable packing of molecules.