The objective of this study is to determine the purity of one sample basing on the comparison of their diffraction pattern with other of already reported structure. Based on the appearance and/or positioning of the peaks, we can infer if the analyzed sample is only incorporated or not, by the reported compound. Will it seek, if you find more than one crystalline pattern in the retrieved pattern, determine the nature of the crystalline phase that coexists with the reported pattern.
The powdered samples were measured on Philips type powder diffractometer fitted with Philips “PW1710” control unit, Vertical Philips “PW1820/00” gonniometer and FR590 Enraf Nonius generator.
It can be concluded from the different analyses that the sample is formed by two polymorphs (two packing arrangements) of the analyzed compound, one of them not yet reported on CSD.
Moreover, we can confirm that the whole sample has been well defined if we take into account the two types of structures and we plot either peak predictions or simulations of these two polymorphs into the powder diffraction pattern.