The title compound N-benzyl-1-ferrocenyl benzalimine, C24H21FeN, has been syn- thesized by a new method with molecular sieves (4 ? as catalyst, and its structure was determined by single-crystal X-ray diffraction. The...The title compound N-benzyl-1-ferrocenyl benzalimine, C24H21FeN, has been syn- thesized by a new method with molecular sieves (4 ? as catalyst, and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 8.2298(16), b = 11.675(2), c = 19.556(4) ? b = 91.20(3)o, V = 1878.6(6) 3, Z = 4, Mr = 379.27, Dc = 1.341g/cm3, F(000) = 792, m = 0.809 mm-1, the final R = 0.0363 and wR = 0.0765 for 2809 observed reflections (I > 2s(I)). In the title compound, the Fe(1) atom is almost located at the center of the two cyclopentadienyl rings, with the Fe(1)Cp(1) and Fe(1)Cp(2) distances of 1.644(9) and 1.649(8) ? respectively. The two cyclopentadienyl rings are nearly parallel, and the dihedral angle between the ?5(C5H4) and ?5(C5H5) rings is 0.97(12)o. The C(11)=N unit is conjugated with the ?5(C5H4) ring which forms a dihedral angle of 101.3(2)o with the adjacent phenyl ring.展开更多
基金This work was supported by the Fundamental Research Fund of Beijing Institute of Technology
文摘The title compound N-benzyl-1-ferrocenyl benzalimine, C24H21FeN, has been syn- thesized by a new method with molecular sieves (4 ? as catalyst, and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 8.2298(16), b = 11.675(2), c = 19.556(4) ? b = 91.20(3)o, V = 1878.6(6) 3, Z = 4, Mr = 379.27, Dc = 1.341g/cm3, F(000) = 792, m = 0.809 mm-1, the final R = 0.0363 and wR = 0.0765 for 2809 observed reflections (I > 2s(I)). In the title compound, the Fe(1) atom is almost located at the center of the two cyclopentadienyl rings, with the Fe(1)Cp(1) and Fe(1)Cp(2) distances of 1.644(9) and 1.649(8) ? respectively. The two cyclopentadienyl rings are nearly parallel, and the dihedral angle between the ?5(C5H4) and ?5(C5H5) rings is 0.97(12)o. The C(11)=N unit is conjugated with the ?5(C5H4) ring which forms a dihedral angle of 101.3(2)o with the adjacent phenyl ring.
