In situ crystallization and crystal structure determination of chlorobenzene


  • Naba K. Nath New York University Abu Dhabi, PO Box 129188, Abu Dhabi
  • Panče Naumov New York University Abu Dhabi, PO Box 129188, Abu Dhabi



Optical Heating and Crystallization Device, chlorobenzene, X-ray diffraction


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


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How to Cite

Nath, N. K., & Naumov, P. (2015). In situ crystallization and crystal structure determination of chlorobenzene. Macedonian Journal of Chemistry and Chemical Engineering, 34(1), 63–66.



Structural Chemistry