IN SITU CRYSTALLIZATION AND CRYSTAL STRUCTURE DETERMINATION OF CHLOROBENZENE*

Naba K. Nath, Panče Naumov

Research output: Contribution to journalArticlepeer-review

Abstract

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 Cl—Cl interactions form zigzag chains that are assisted by C—H—π interactions. Hirshfeld surface analysis revealed five types of intermolecular contacts.

Original languageEnglish (US)
Pages (from-to)63-66
Number of pages4
JournalMacedonian Journal of Chemistry and Chemical Engineering
Volume34
Issue number1
DOIs
StatePublished - 2015

Keywords

  • chlorobenzene
  • halogen interactions
  • optical heating crystallization device
  • X-ray diffraction

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

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