{"title":"Crystal structure of bis(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetraphenylporphyrinato-κ4N)iron(II) toluene trisolvate","authors":"Wei Ding , Mingrui He , Jianfeng Li","doi":"10.1107/S2056989025007121","DOIUrl":null,"url":null,"abstract":"<div><div>The title complex, [Fe(C<sub>4</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>(C<sub>44</sub>H<sub>28</sub>N<sub>4</sub>)]·3C<sub>7</sub>H<sub>8</sub>, possesses inversion symmetry with the iron(II) atom located on a center of symmetry. The metal atom is coordinated in a symmetric octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-methylimidazole ligands in the axial sites; the complex crystallizes with three toluene solvent molecules.</div></div><div><div>The title complex, [Fe(C<sub>4</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>(C<sub>44</sub>H<sub>28</sub>N<sub>4</sub>)]·3C<sub>7</sub>H<sub>8</sub>, possesses inversion symmetry with the iron(II) atom located on a center of symmetry. The metal atom is coordinated in a symmetric octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-methylimidazole ligands in the axial sites; the complex crystallizes with three toluene solvent molecules. The average Fe—N<sub>P</sub> (N<sub>P</sub> is a porphyrin N atom) bond length is 1.994 (3) Å and the axial Fe—N<sub>Im</sub> (N<sub>Im</sub> is an imidazole N atom) bond length is 2.0000 (14) Å. The two 1-methylimidazole ligands are mutually parallel. The dihedral angle between the 1-methylimidazole plane and the plane of the closest Fe—N<sub>P</sub> vector is 25.54 (10)°. In the crystal, the only significant intermolecular interactions present are C—H⋯π interactions.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 9","pages":"Pages 832-835"},"PeriodicalIF":0.6000,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989025001586","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
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Abstract
The title complex, [Fe(C4H6N2)2(C44H28N4)]·3C7H8, possesses inversion symmetry with the iron(II) atom located on a center of symmetry. The metal atom is coordinated in a symmetric octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-methylimidazole ligands in the axial sites; the complex crystallizes with three toluene solvent molecules.
The title complex, [Fe(C4H6N2)2(C44H28N4)]·3C7H8, possesses inversion symmetry with the iron(II) atom located on a center of symmetry. The metal atom is coordinated in a symmetric octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-methylimidazole ligands in the axial sites; the complex crystallizes with three toluene solvent molecules. The average Fe—NP (NP is a porphyrin N atom) bond length is 1.994 (3) Å and the axial Fe—NIm (NIm is an imidazole N atom) bond length is 2.0000 (14) Å. The two 1-methylimidazole ligands are mutually parallel. The dihedral angle between the 1-methylimidazole plane and the plane of the closest Fe—NP vector is 25.54 (10)°. In the crystal, the only significant intermolecular interactions present are C—H⋯π interactions.
期刊介绍:
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.