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双(1-甲基-1-咪唑-κ)(5,10,15,20-四苯基-卟啉-κ)铁(II)甲苯三溶剂合物的晶体结构

Crystal structure of bis-(1-methyl-1-imidazole-κ )(5,10,15,20-tetra-phenyl-porphyrinato-κ )iron(II) toluene tris-olvate.

作者信息

Ding Wei, He Mingrui, Li Jianfeng

机构信息

Beijing Spacecrafts Co., Ltd., Beijing 100094, People's Republic of China.

State Key Laboratory of Biopharmaceutical Preparation and Delivery Institute of Process Engineering, Chinese Academy of Sciences Beijing 100190 People's Republic of China.

出版信息

Acta Crystallogr E Crystallogr Commun. 2025 Aug 15;81(Pt 9):832-835. doi: 10.1107/S2056989025007121. eCollection 2025 Sep 1.

Abstract

The title complex, [Fe(CHN)(CHN)]·3CH, 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-methyl-imidazole ligands in the axial sites; the complex crystallizes with three toluene solvent mol-ecules. The average Fe-N (N is a porphyrin N atom) bond length is 1.994 (3) Å and the axial Fe-N (N is an imidazole N atom) bond length is 2.0000 (14) Å. The two 1-methyl-imidazole ligands are mutually parallel. The dihedral angle between the 1-methyl-imidazole plane and the plane of the closest Fe-N vector is 25.54 (10)°. In the crystal, the only significant inter-molecular inter-actions present are C-H⋯π inter-actions.

摘要

标题配合物[Fe(CHN)(CHN)]·3CH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原子和轴向位置的两个1-甲基咪唑配体的N原子以对称八面体几何构型配位;该配合物与三个甲苯溶剂分子一起结晶。平均Fe-N(N为卟啉N原子)键长为1.994(3) Å,轴向Fe-N(N为咪唑N原子)键长为2.0000(14) Å。两个1-甲基咪唑配体相互平行。1-甲基咪唑平面与最接近的Fe-N向量平面之间的二面角为25.54(10)°。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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/00d9/12412692/77f1a23890c4/e-81-00832-fig1.jpg

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