Boese, Roland; Blaeser, Dieter; Nussbaumer, Michael:
Low-temperature crystal and molecular structure of nitrobenzene.
1992
In: Structural Chemistry, Jg. 3 (1992), Heft 5, S. 363 - 368
Artikel/Aufsatz in Zeitschrift1992Chemie
Titel:
Low-temperature crystal and molecular structure of nitrobenzene.
Autor(in):
Boese, RolandLSF; Blaeser, Dieter; Nussbaumer, Michael
Erscheinungsjahr
1992

Abstract:

The crystal and mol. structure of nitrobenzene was detd. at 103 K by x-ray diffraction, yielding R = 0.034 and a highly precise geometry of the mol. (esds of bond lengths ?0.001 .ANG. and bond angles ?0.1 Deg). The bond angles in the ring agree very well with additive scheme based on angular substituent parameters. X-X electron d. maps support the view that the C-N bond does not exhibit p-character, and, hence, the nitro group interacts with the ring mostly by inductive effects.