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Synthesis and Crystal Structure of (1S)-1,1'-Bis{[N-ethyl-N-(1-methylethyl)-amino]-carbonyl}-2-(hydroxydiphenylmethyl)-ferrocene
Authors:YUAN Hao  ZHOU Zhi-Ming  XU Bao-Cai
Institution:1. School of Chemical Engineering & the Environment,Beijing Institute of Technology,Beijing 100081,China
2. College of Chemical & Environment Engineering,Beijing Technology and Business University,Beijing 100037,China
Abstract:The title complex,(1S)-1,1'-bis{N-ethyl-N-(1-methylethyl)-amino]carbonyl}-2-(hydroxyldiphenylmethyl)-ferrocene (Fe(C24H22NO2)(C11H16NO)]2·H2O,Mr=1207.13),was synthesized via (-)-Sparteine-mediated enantioselective directed ortho-lithiation of 1,1'-bis{N-ethyl-N-(1-methylethyl)-amino]carbonyl}-2-(hydroxydiphenylmethyl)-ferrocene.The structure of the title compound was determined by X-ray single-crystal diffraction.The crystal belongs to the orthorhombic system,space group P212121,with a=10.266(2),b=17.676(4),c=34.097(7) (A),V=6187(2)(A)3,Z=4,C70H86Fe2N4O7,Dc=1.296 g/cm3,μ=0.527 mm-1,T=113(2) K,F(000)=2568,the final R=0.0469 and wR=0.0984 for 13940 observed reflections with I > 2o(I).The neighboring ferrocene derivatives are joined into dimers via O-H…O=C intermolecular hydrogen bonding by a water molecule.Besides,the dimers form neat rows along the a axis.
Keywords:(1S)-1  1'-bis{[N-ethyl-N-(1-methylethyl)-amino]carbonyl}-2-(hydroxydiphenyl-methyl)-ferrocene  enantioseleetive synthesis  crystal structure
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