1-Chloro-2-nitro­benzene: N-O⋯Cl halogen bonds and aromatic π-π stacking, and thermal vibrations in the vicinity of the melting point

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...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2007-02, Vol.63 (2), p.o123-o125
Hauptverfasser: Wójcik, Grażyna, Mossakowska, Izabella
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270106048797