Isoimperatorin is a naturally occurring furocoumarin and is being considered as a potential chemoprevention. Only one crystal form of isoimperatorin (Form I) was reported during previous research so that an investigation of polymorphism of isoimperatorin was successfully undertaken. A new polymorph of isoimperatorin was discovered through comprehensive polymorph screening experiments. Their structures were elucidated by single-crystal structure analysis and extensively characterized by XRPD, DSC, FT-IR, and SEM. The results showed that the crystal structure and thermal properties of the new polymorph (Form II) were significantly different from those of Form I. Thermodynamic stability and phase transformation were also discussed in detail.
Keywords: FT-IR; Isoimperatorin; X-ray diffractometry; differential scanning calorimetry; polymorph.