3-[1-(4-溴苯基)乙氧基]-2,2,5-三甲基-4-苯基-3-氮杂己烷
3-[1-(4-Bromo-phen-yl)eth-oxy]-2,2,5-trimethyl-4-phenyl-3-aza-hexa-ne.
作者信息
Pitliya Praveen, Butcher Ray J, Karim A, Hudrlik Paul F, Hudrlik Anne M, Raghavan D
机构信息
Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.
Department of Polymer Engineering, University of Akron, Akron, OH, USA.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Nov 20;69(Pt 12):o1792-3. doi: 10.1107/S1600536813029966.
The title compound, C22H30BrNO, is an alk-oxy-amine 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 enanti-omers. 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 mol-ecules into chains along [-110].
标题化合物C₂₂H₃₀BrNO是一种烷氧基胺化合物，是氮氧自由基介导的自由基聚合反应中的有效引发剂。它是作为两种非对映异构体的混合物制备的；用于X射线分析的晶体显示其中一种为一对R,S和S,R对映体。叔丁基和异丙基在晶体中几乎呈反式构象[C-N-C-C扭转角 = -168.8 (1)°]，乙氧基的甲基与叔丁基大致呈反式关系。苯基和苯环之间的二面角为33.12 (7)°。Br原子在两个位置上无序，占有率分别为0.9139 (16)和0.0861 (16)。在晶体中，弱的C-H⋯Br接触将分子沿[-110]方向连接成链。
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