Abstract A thiosemicarbazone single crystal synthesized with a formula as C10H12N6S2· 2C2H6OS, was synthesized by 1, 4-phthalaldehyde and 4-methylthiosemicarbazide. The crystal is triclinic, space group P-1 with unit cell parameters: a= 5.9519 (5) Å, b= 7.4721 (7) Å, c= 12.5450 (13), a= 77.348 (8) º, b= 78.672 (8) º, g= 79.193 (7) º, V= 527.64 (8) Å3, Z= 1, Mr= 436.63, Dc= 1.374 g/cm3, μ= 0.471 mm-1, F (000)= 230, R= 0.0844, wR= 0.2607 for ...