This dataset refer to the publication "Elucidating the Polymorphism of Xanthone: A Crystallization and Characterization Study" accepted on th 9th of February 2024 in Crystal Growth & Design. The Xanthone DSC file contains differential scanning calorimetry data in .dat format The PCA.analysis file contains the resuls of the principal component analysis carried out on the PXRD data file in .dat format The PXRD data from single crystal_Variable temperaure.dat file contains the data used for the principal component analysis. The Xan_raw and Xanthone_solvents files contain the powder x-ray patterns of the xanthone in different solvents in .dat format The Xan_dep.cif contains the crystal structure of the Xanthone discussed in the paper in .cif format. More information are available on the structure in the Cambridge Crystallographic Centre Database. The "SEM" folder contains the SEM images showing the effect of different solvents and solvent ratios on morphology in .jpg format The "Optical microscopy" folder contains images taken on the optical microscope showing the effect of filtration rate on crystal size and morphology and the effect of different solvent ratios on morphology in .jpg format.