I have extracted an aromatic acid-base adduct. I have also examined the powder XRD pattern of the adduct. Then, to compare the pattern with the theoretical powder XRD pattern, I optimized the aromatic acid-aromatic base adduct in Gaussian 09 and saved the output file as .mol2 file. Then, the .mol2 file was processed in Diamond to get the simulated powder XRD pattern. But, unfortunately I got a blank pattern.
Have you any suggestion for me to get the simulated PXRD?