2-Methyl-3-nitrobenzonitrile

2-Methyl-3-nitrobenzonitrile

The asymmetric unit of the title compound, C8H6N2O2, contains two independent molecules, the aromatic rings of which are oriented at a dihedral angle of 1.68 (3)°. Intramolecular C-H...O hydrogen bonds result in the formation of two non-planar six-membered rings, which adopt envelope and twisted con...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2008-12, Vol.64 (12), p.o2468-o2468
Hauptverfasser: Han, Guo-zhi, Han, Lu-na, Lu, Ran-zhe, Zhang, Min, Wang, Hai-bo
Format: Artikel
Sprache:eng
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Zusammenfassung:The asymmetric unit of the title compound, C8H6N2O2, contains two independent molecules, the aromatic rings of which are oriented at a dihedral angle of 1.68 (3)°. Intramolecular C-H...O hydrogen bonds result in the formation of two non-planar six-membered rings, which adopt envelope and twisted conformations. In the crystal structure, intermolecular C-H...O hydrogen bonds link the molecules. There are π-π contacts between the benzene rings [centroid-centroid distances = 3.752 (3) and 3.874 (3) Å].
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536808039354