Bats Jan W, Doppiu Angelino, Rivas Nass Andreas, Hashmi A Stephen K
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 20;64(Pt 12):m1585. doi: 10.1107/S1600536808038294.
The absolute configuration of the title compound, [Fe(C(5)H(5))(C(36)H(29)OP(2))], is S(p) at the ferrocene group and S at the asymmetric C atom. Both P atoms have a trigonal-pyramidal conformation. There is a short intra-molecular C-H⋯P contact with an H⋯P distance of 2.56 Å. The hydr-oxy group is involved in an intra-molecular O-H⋯π(phen-yl) inter-action. The crystal packing shows five very weak inter-molecular C-H⋯π contacts, with H⋯Cg distances between 3.26 and 3.39 Å (Cg is the centroid of a phenyl or cyclo-penta-dienyl ring).
标题化合物[Fe(C₅H₅)(C₃₆H₂₉OP₂)]的绝对构型在二茂铁基团处为S(p),在不对称碳原子处为S。两个磷原子均具有三角锥构型。存在一个短的分子内C-H⋯P接触,H⋯P距离为2.56 Å。羟基参与了分子内O-H⋯π(苯基)相互作用。晶体堆积显示有五个非常弱的分子间C-H⋯π接触,H⋯Cg距离在3.26至3.39 Å之间(Cg为苯基或环戊二烯基环的质心)。