Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 12 (December 2013)


organic compounds



hg5350 scheme

Acta Cryst. (2013). E69, o1792-o1793    [ doi:10.1107/S1600536813029966 ]

3-[1-(4-Bromo­phen­yl)eth­oxy]-2,2,5-trimethyl-4-phenyl-3-aza­hexa­ne

P. Pitliya, R. J. Butcher, A. Karim, P. F. Hudrlik, A. M. Hudrlik and D. Raghavan

Abstract: The title compound, C22H30BrNO, is an alk­oxy­amine compound, an effective initiator in nitroxide-mediated free radical polymerization. It was prepared as a mixture of two diasteromers; the crystal for the X-ray analysis showed one of these as a pair of R,S and S,R enanti­omers. The tert-butyl and isopropyl groups are in an almost anti conformation in the crystal [C-N-C-C torsion angle = -168.8 (1)°], and the methyl group of the ethoxy group is in an approximate anti relationship to the tert-butyl group. The dihedral angle between the phenyl and benzene rings is 33.12 (7)°. The Br atom is disordered over two positions, with occupancies of 0.9139 (16) and 0.0861 (16). In the crystal, weak C-H...Br contacts link the mol­ecules into chains along [-110].


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