Zheng Xiu-Li, Liu Jin-Ting
School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 25;65(Pt 4):m432. doi: 10.1107/S1600536809008861.
The title chiral ferrocene compound, [Fe(C(5)H(5))(C(18)H(25)N(2))], contains one planar and two central chiral centers. It is of inter-est with respect to asymmetric catalysis. The absolute configuration of the planar chirality is Rp at the ferrocene group and those of the two C chiral centers are R at the CH carbon of the ethanamine unit and S at the CH carbon of the phenyl-ethyl-amino substituent. In the ferrocenyl unit, the cyclo-penta-dienyl (Cp) rings are planar, with maximum deviations of 0.002 (2) Å for the substituted and 0.008 (3) Å for the unsubstituted Cp ring. The dihedral angle between the ring planes is 2.12 (15)° and the rings are twisted slightly from an eclipsed conformation by 7.06-7.60°.
手性二茂铁化合物[Fe(C₅H₅)(C₁₈H₂₅N₂)]含有一个平面手性中心和两个中心手性中心。它在不对称催化方面具有重要意义。平面手性的绝对构型在二茂铁基团处为Rp，两个C手性中心的绝对构型在乙胺单元的CH碳处为R，在苯乙氨基取代基的CH碳处为S。在二茂铁基单元中，环戊二烯基（Cp）环是平面的，取代的Cp环的最大偏差为0.002 (2) Å，未取代的Cp环的最大偏差为0.008 (3) Å。环平面之间的二面角为2.12 (15)°，环从重叠构象略微扭曲了7.06 - 7.60°。
