ISSN:
0894-3230
Keywords:
Organic Chemistry
;
Physical Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Physics
Notes:
The crystal and molecular structure of N-nitro-N-methyl-p-nitroaniline was solved with good precision: R = 0·058 and average estimated standard deviation for bond lengths = 0·003 Å. Analysis of the geometry reveals that the NO2 attached to the N atom is strongly conjugated. Application of the HOSE model to its geometry and to geometries of 12 other para-substituted nitrobenzenes yields good linear regressions between canonical structure weights and Hammett σ values by interpolation, σ for the N(Me)NO2 group is estimated to 0·36.
Additional Material:
2 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/poc.610060502