Crystal structure of a molecular building block with π-π intermolecular interaction

Mononuclear iron(II) compound [Fe(4tPt)(2)(NCS)(2)(MeOH)2].MeOH (1) (4tpt = 2,4,6-tri(4-pyridyl)-1,3,5-triazine) was synthesized and characterized by X-ray single crystal diffraction, Mossbauer spectra, magnetic susceptibilities, electronic spectra and IR spectra. The crystal structure of 1 was determined. Crystal data for 1: C42H40O4N14S2Fe1, space groupe P-1, Z=2, a=7.091(1), b 10.630(2), c=-28.251(7) Angstrom, alpha-89.77(1)degrees, beta=90.072(9)degrees, gamma=84.45(1)degrees, V=2119.5(7)Angstrom3, R1=0.069. The compound 1 has two 4tpt ligands, and forms pi-pi stacking between the 4tpt ligands in the neighboring complexes along the b axis. The assembly of the constituent complexes forms 1-D zigzag chains because of the strong pi-pi stacking between the neighboring complexes. Two methanol molecules are contained in the space between the 1-D zigzag chains.