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 language | English (US) |
|---|---|
| Pages (from-to) | 63-66 |
| Number of pages | 4 |
| Journal | Macedonian Journal of Chemistry and Chemical Engineering |
| Volume | 34 |
| Issue number | 1 |
| DOIs | |
| State | Published - 2015 |
Keywords
- X-ray diffraction
- chlorobenzene
- halogen interactions
- optical heating crystallization device
ASJC Scopus subject areas
- General Chemistry
- General Chemical Engineering