In situ crystallization and crystal structure determination of chlorobenzene

Abstract

<jats:p><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></jats:p>