Crystal Structure of a Molecular Building Block with π-π Intermolecular Interaction

• Published in: Molecular crystals and liquid crystals (Philadelphia, Pa. : 2003) Vol. 379; no. 1; pp. 371 - 376
• Main Authors: Hayami, Shinya, Kawamura, Kazunori, Juhasz, Gergely, Kawahara, Takayoshi, Uehashi, Keigo, Maeda, Yonezo
• Format: Journal Article
• Language: English
• Published: Taylor & Francis Group 01.01.2002
• ISSN: 1542-1406; 1563-5287
• DOI: 10.1080/713738628

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, Mössbauer spectra, magnetic susceptibilities, electronic spectra and IR spectra. The crystal structure 1 was determined. Crystal data for 1 : C 42 H 40 O 4 N 14 S 2 Fe 1 , space groupe P-1 , Z =2, a =7.091(1), b =10.630(2), c =28.251(7) Å f =89.77(1), g =90.072(9), n =84.45(1), V=2119.5(7)Å3, R 1=0.069. The compound 1 has two 4tpt ligands, and forms ~ - ~ 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 ~ - ~ stacking between the neighboring complexes. Two methanol molecules are contained in the space between the 1-D zigzag chains. iron(II) compound ~ - ~ stacking 1-D chain