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。

IF 0.6 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-09-01 DOI:10.1107/S2056989025007121

Wei Ding , Mingrui He , Jianfeng Li

{"title":"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。","authors":"Wei Ding , Mingrui He , Jianfeng Li","doi":"10.1107/S2056989025007121","DOIUrl":null,"url":null,"abstract":"<div><div>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.</div></div><div><div>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.</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":"{\"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(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.</div></div><div><div>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.</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}","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

摘要

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。

查看原文本刊更多论文

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

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—N_P (N_P is a porphyrin N atom) bond length is 1.994 (3) Å and the axial Fe—N_Im (N_Im 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_P vector is 25.54 (10)°. In the crystal, the only significant intermolecular interactions present are C—H⋯π interactions.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

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.