Abstract: OBJECTIVE To prepare single crystals of (1R, 2S)-2-(3, 4-difluorophenyl) cyclopropanamine(S)-(carboxylato(phenyl) methyl) holmium (TCGM3), and to confirm the corresponding spatial structure. METHODS Crystallization conditions including solvents and temperature were investigate to grow single crystals of TCGM3. Then, the crystal structure was solved by single crystal X-ray diffraction (SXRD) analysis. RESULTS Perfect single crystals of TCGM3 had been grown by evaporation in methnaol for 4 d at ambient temperature. SXRD confirmed the the orthorhombic lattice with space group P2₁2₁2₁ in TCGM3 crystal with a refinement value (R) of 0.04. Moreover, the chemical formula and relative molecular mass were C₁₇H₁₇F₂NO₃ and 321.32 g·mol^-1, respectively. The measured crystal structure was in good agreement with the predicted one. CONCLUSION Single crystals of TCGM3 are obtained. On this basis, crystal structure of TCGM3 is characterized through SXRD.