In situ crystallization and crystal structure determination of chlorobenzene

Abstract

<p>The crystal structure of chlorobenzene, which is liquid at ambient conditions of pressure and temperature, was determined after <em>in situ</em> crystallization by using Optical Heating and Crystallization Device (OHCD) coupled to a single crystal X-ray diffractometer. Chlorobenzene crystallizes in the orthorhombic space group <em>Pbcn</em> with one symmetry-independent molecule in the asymmetric unit. In the crystal structure, type II Cl•••Cl interactions form zigzag chains that are assisted by C—H•••π interactions. Hirshfeld surface analysis revealed five types of intermolecular contacts.</p>