Electron-density distribution in crystals of <i>p</i>-nitrobenzene derivatives

Abstract

The electron-density distributions in five nitrobenzene derivatives have been examined by the multipole expansion method based on X-ray diffraction data measured with Mo Kα radiation (λ= 0.70926 A) at 120 K. p-Dinitrobenzene, C 6 H 4 N 2 O 4 , (I), M r =168.1, monoclinic, P2 1 /n, a=10.941 (2), b =5.3813 (5), c=5.6684 (4) A, β=92.116 (8) o , V= 333.51 (7) A 3 , Z=2, D x =1.67 Mg m -3 , μ= 0.13 5 mm -1 , R=0.030 for 2045 unique reflections