Monotropic smectic A to double layer smectic C transition of biphenyl containing liquid crystal acetylene

5-[(4′-Heptoxy-4-biphenylyl)carbonyloxy]-1-pentyne (A-3, 7) was synthesized and the phase structures and transitions were investigated by differential scanning calorimetry (DSC), wide angle X-ray diffraction (WAXD), polarized light microscopy (PLM) and the molecular packing in the crystal and liquid crystalline phases were simulated by molecular dynamic simulation. The results showed that the sample formed thermodynamically metastable SmA and SmC2 phases before crystallized during cooling and the crystal phase directly transformed into isotropic phase during heating.