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 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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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. |
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ISSN: | 0108-2701 1600-5759 |
DOI: | 10.1107/S0108270106048797 |