P. Batail, D. Grandjean, F. Dudragne
Nov 15, 1974
Citations
0
Influential Citations
2
Citations
Journal
Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry
Abstract
The crystal and molecular structure of 1-(N-fluoro-N-t-butyl)amino-2,4,6-trinitrobenzene has been determined by a single-crystal X-ray study. The compound crystallizes in space group P21/c with four molecules in a unit cell of symmetry P21/cwith dimensions a = 13"072 (3), b = 6.199 (2), c = 16" 169 (6) A, fl = 96.12 (3)°.The intensities of the reflexions were measured on a Nonius CAD-4 automatic diffractometer. The structure has been refined to R and R" values of 0.050 and 0.041 respectively for 2208 independent reflexions. The main features of the molecule are a pseudo-tetrahedral coordination for the nitrogen atom of the amine group, an observed deformation of the aromatic ring and a N-F distance of 1.437 (1) /~. A comparison is made with previous nitroaromatic amine structures.