Abstract
The crystal structure of 3-nitrobenzonitrile, C7H4N2O2, was elucidated by low-temperature single-crystal X-ray diffraction. The compound crystallizes in the Sohncke space group P21 and features two molecules in the unit cell. Aromatic π–π stacking leads to stacks of molecules in the [100] direction. The absolute structure was established from anomalous dispersion.
Funder
H2020 European Research Council
Jožef Stefan Institute Director's Fund
Slovenian Research Agency
Publisher
International Union of Crystallography (IUCr)
Subject
Organic Chemistry,Inorganic Chemistry,Analytical Chemistry