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1‐Chloro‐2‐nitro­benzene: N—O⋯Cl halogen bonds and aromatic π–π stacking,and thermal vibrations in the vicinity of the melting point
Authors:Gra yna Wjcik  Izabella Mossakowska
Abstract:The crystal structure of 1‐chloro‐2‐nitro­benzene, C6H4ClNO2, is made up of mol­ecules which are linked by N—O⋯Cl halogen bonds. These mol­ecular chains are involved in aromatic π–π stacking; the inter­molecular O⋯Cl distance is 3.09 Å. Such short halogen bonds are not common. A rigid‐body analysis including the non‐rigidly attached rigid group provides the mean‐square amplitudes of the mol­ecular translations and librations, and of the inter­nal torsional vibrations of the nitro group. The results reveal the driving role of the torsional vibrations of the nitro group in the phase transition to the liquid phase.
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