Crystal and molecular structure of 1,1 '-ferrocene-dicarbaldehyde

The crystal and molecular structure of 1,1'-ferrocene-dicarbaldehyde 1 is r eported. Crystal data for 1: monoclinic, space group P2(1)/n, a = 5.876(1), b = 11.349(1), c = 29.460(3) Angstrom, beta = 95.067(2)degrees V = 1956.9( 3) Angstrom(3), and D-c = 1.64 g/cm(3), for Z = 8. The complex crystallizes such that two molecules are located in the asymmetric unit in which the co mplexes display different degrees of twisting of the cyclopentadienyl (Cp) rings and formyl substituents about the Cp-Fe-Cp and Cp-COH axes, respectiv ely. The molecule self-assembles in the solid state to form a 2D layered st ructure held together by pi-pi interactions and C-H...O hydrogen bonds.