Synthesis, Crystal Structure and Characterisation of two Crystals of 5-[4′-(bromomethyl)biphenyl-2-yl]-2-trityl-2H-tetrazole

Abstract

Two polymorphs of 5-[4′-(bromomethyl)biphenyl-2-yl]-2-trityl-2 H-tetrazole can be characterised by single-crystal X-ray diffraction and Hirschfeld surface analysis. Both polymorphs crystallise in the monoclinic space group P21/ c, but their cell parameters are different. The interatomic distances of phase A and B are different, and the arrangements of the dipolymers in phase A and B are remarkably different for the molecular orientation and interatomic distances according to their different π···π stacking interactions. Additionally, the size and shape of a Hirschfeld surface also reflects the interplay between different atoms and intermolecular contacts in a crystal. From the Hirschfeld surfaces of phase A and B, we can interpret the different proportions of interaction.