In the title compound, C14H11NO2, the benzene rings are inclined to each other with a dihedral angle between their mean planes of 8.42 (6)°. The nitro group is almost coplanar with the attached benzene ring but is rotated about the C-N bond by 5.84 (12)°. This redetermination results in a crystal structure with significantly higher precision than the original determination [Hertel & Romer (1931). Z. Kristallogr. 76, 467-469], and the intermolecular interactions have been established. In the crystal structure, molecules are linked by C-HO hydrogen bonds to generate C(5), C(13) and edge-fused R33(28) rings.
|Journal||Acta Crystallographica Section E: Structure Reports|
|Publication status||Published - Dec 2008|
- single-crystal X-ray study
- T = 123 K
- mean (C–C) = 0.002 A°
- R factor = 0.048
- wR factor = 0.135
- data-to-parameter ratio = 20.6.
Moreno-Fuquen, R., Aguirre, L., & Kennedy, A. R. (2008). Redetermination of 4-nitrostilbene. Acta Crystallographica Section E: Structure Reports, 64, O2259-U1605. https://doi.org/10.1107/S1600536808035459