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.
