Crystal structure of bis­(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetra­phenyl­porphyrinato-κ4N)iron(II) toluene tris­olvate

IF 0.6 Q4 CRYSTALLOGRAPHY
Wei Ding , Mingrui He , Jianfeng Li
{"title":"Crystal structure of bis­(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetra­phenyl­porphyrinato-κ4N)iron(II) toluene tris­olvate","authors":"Wei Ding ,&nbsp;Mingrui He ,&nbsp;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}
引用次数: 0

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.
二-(1-甲基- 1h -咪唑-κN - 3)(5,10,15,20-四苯基卟啉-κ4 - N)铁(II)甲苯三酸盐的晶体结构。
标题配合物[Fe(C4H6N2)2(C44H28N4)]·3C7H8与铁(II)原子位于对称中心,具有反转对称性。金属原子在赤道面上由卟啉配体的四个吡咯N原子和轴向位置上的两个1-甲基咪唑配体的N原子配位成对称的八面体结构;该配合物与三个甲苯溶剂分子结晶。Fe-NP (NP为卟啉N原子)的平均键长为1.994 (3)Å, Fe-NIm (NIm为咪唑N原子)的轴向键长为2.000 (14)Å。两个1-甲基咪唑配体是相互平行的。1-甲基咪唑平面与最近的Fe-NP向量平面之间的二面角为25.54(10)°。在晶体中,唯一重要的分子间相互作用是C-H⋯π相互作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 求助全文
来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术官方微信