Two benzohydroxamic acid organotin complexes [(o-Cl-C6H4CH2)(2)Sn(C6H5CONO)(2)] (1) and [(o-CH3-C6H4CH2)(2)Sn(C6H5CONO)(C6H5COO)] (2) were synthesized by solvothermal method using methanol as a solvent. Complexes 1 and 2 were characterized by elemental analysis, IR, H-1 NMR, thermogravimetric analysis, single-crystal X- ray diffraction, etc. The study on the complexes has been performed with quantum chemistry calculation and in vitro anticancer activity. The results show that the two complexes are monotin nuclear structures; complexes 1 and 2 are the six-coordinated distorted octahedron config...