Abstract
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 P2(1) and features two mol-ecules in the unit cell. Aromatic π-π stacking leads to stacks of mol-ecules in the [100] direction. The absolute structure was established from anomalous dispersion.