3-Nitrobenzonitrile

The crystal structure of 3-nitrobenzonitrile, C 7 H 4 N 2 O 2 , was elucidated by low-temperature single-crystal X-ray diffraction. The compound crystallizes in the Sohncke space group P 2 1 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.