Bis(1-methyl-imidazole)[ meso-α,α,α,α-tetra-kis(o-nicotinamido-phen-yl)porphinato]iron(II)-1-methyl-imidazole-tetra-hydro-furan (1/1/1.5)

Yingying Fan; Jianfeng Li

doi:10.1107/S2414314621005319

Bis(1-methyl-imidazole)[ meso-α,α,α,α-tetra-kis(o-nicotinamido-phen-yl)porphinato]iron(II)-1-methyl-imidazole-tetra-hydro-furan (1/1/1.5)

IUCrdata. 2021 May 25;6(Pt 5):0. doi: 10.1107/S2414314621005319. eCollection 2021 May.

Authors

Yingying Fan¹, Jianfeng Li¹

Affiliation

¹ College of Materials Science and Optoelectronic Technology, CAS Center for Excellence in Topological Quantum Computation & Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Yanqi Lake, Huairou District, Beijing, 101408, People's Republic of China.

Abstract

In the title compound, [Fe^II(C₆₈H₄₄N₁₂O₄)(C₄H₆N₂)₂]·C₄H₆N₂·1.5C₄H₈O, the central Fe^II ion is coordinated by four pyrrole N atoms of the porphyrin core and two N atoms of the 1-methyl-imidazole ligands in the axial sites. One 1-methyl-imidazole and one and a half tetra-hydro-furan solvent mol-ecules are also present in the asymmetric unit. The complex exhibits a near planar porphyrin core conformation, in which the iron centre is slightly displaced towards the hindered porphyrin side (0.01 Å). The average Fe-N_p (N_p refers to the pyrrole nitro-gen atoms in the porphyrin) bond length is 1.990 (9) Å, and the axial Fe-N_Im (N_Im refers to the imidazole nitro-gen atoms) bond lengths are 1.993 (3) and 2.004 (3) Å. The dihedral angle between the two coordinated 1-methyl-imidazole planes is 56.6 (2)°. The dihedral angles between the 1-methyl-imidazole planes and the planes of the closest Fe-N_p vector are 16.8 (2) and 39.8 (2)°. N-H⋯N and N-H⋯O inter-actions are observed in the crystal structure.

Keywords: 1-methylimidazole; crystal structure; hydrogen bonds; porphyrin derivative.

Grants and funding

Funding for this research was provided by: National Natural Science Foundation of China (grant No. 21771176 to JL; grant No. 21977093 to JL); Strategic Priority Research Program of Chinese Academy of Sciences (grant No. XDB28000000).