The molecular structure of the 2-(4-oxo-3-phenylthiazolidin-2-ylidene) malononitrile (3) is calculated using DFT B3LYP/6-311G(d, p) method. The calculated geometric parameters are in good agreement with the experimental data. | Computational studies of 2- 4-oxo-3-phenylthiazolidin-2-ylidene malononitrile