Crystal structure of iodoform at 106 K and of the adduct CHI3⋅3(C9H7N). Iodoform as a building block of co-crystals

The structures of CHI3 and of its adduct with quinoline have been analyzed using X-ray single crystal diffraction at low (106 K, CHI3) and room temperature (adduct CHI3⋅3(C9H7N)). The disorder of the molecule is removed at low temperature and the non centrosymmetric structure in P63 space group allows a deep examination of the halogen bondings in the crystal. The iodine atom clearly shows in the both compounds its electrophilic and nucleophilic behavior. It is noteworthy that when iodoform forms adducts involving the three iodine atoms with Lewis bases, it gives raise to non centrosymmetric crystals, and it is a good candidate for obtaining new materials.

► The first single crystal structure of iodoform at low temperature (106 K). ► Examination of halogen bondings in the crystal packing of CHI3. ► Structure of one adduct of iodoform with a Lewis base. ► Weak interactions as main driving forces towards polar structures.