Ding Wei, Li Jianfeng
College of Materials Science and Optoelectronic Technology, University of Chinese Academy of Sciences, Yianqi Lake, Huairou District, Beijing 101408, People's Republic of China.
Acta Crystallogr E Crystallogr Commun. 2018 May 1;74(Pt 6):772-775. doi: 10.1107/S2056989018006308. eCollection 2018 Jun 1.
The title complex, [Fe(CHN)(CHN)]·CHO, possesses inversion symmetry with the iron(II) atom located on a center of symmetry. The metal atom is coordinated in a symmetric octa-hedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-ethyl-imidazole ligands in the axial sites; the complex crystallizes with a tetra-hydro-furan solvent mol-ecule. The average Fe-N (N is a porphyrin N atom) bond length is 1.995 (3) Å and the axial Fe-N (N is an imidazole N atom) bond length is 1.994 (2) Å. The two 1-ethyl-imidazole ligands are mutually parallel. The dihedral angle between the 1-ethyl-imidazole plane and the plane of the closest Fe-N vector is 24.5°. In the crystal, the only significant inter-molecular inter-actions present are C-H⋯π inter-actions.
标题配合物[Fe(CHN)(CHN)]·CHO具有反演对称性,铁(II)原子位于对称中心。金属原子在赤道平面上由卟啉配体的四个吡咯N原子以及轴向位置的两个1-乙基咪唑配体的N原子以对称八面体几何构型配位;该配合物与一个四氢呋喃溶剂分子一起结晶。平均Fe-N(N为卟啉N原子)键长为1.995(3) Å,轴向Fe-N(N为咪唑N原子)键长为1.994(2) Å。两个1-乙基咪唑配体相互平行。1-乙基咪唑平面与最接近的Fe-N向量平面之间的二面角为24.5°。在晶体中,存在的唯一显著分子间相互作用是C-H⋯π相互作用。