(2,5-Di­methyl­imidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetra­yltetra­(2,1-phenyl­ene)]tetra­kis(pyridine-3-carboxamide)}manganese(II) chloro­benzene disolvate

IUCrData Pub Date : 2024-06-01 DOI:10.1107/S2414314624004978
Jun Yang , Cuijuan Zhang , Jiaxiang Chu , W. T. A. Harrison (Editor)
{"title":"(2,5-Di­methyl­imidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetra­yltetra­(2,1-phenyl­ene)]tetra­kis(pyridine-3-carboxamide)}manganese(II) chloro­benzene disolvate","authors":"Jun Yang ,&nbsp;Cuijuan Zhang ,&nbsp;Jiaxiang Chu ,&nbsp;W. T. A. Harrison (Editor)","doi":"10.1107/S2414314624004978","DOIUrl":null,"url":null,"abstract":"<div><p>In the title compound, the central Mn<sup>II</sup> ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-di­methyl­imidazole ligand in the apical site. Two chloro­benzene solvent mol­ecules are also present in the asymmetric unit.</p></div><div><p>In the title compound, [Mn(C<sub>68</sub>H<sub>44</sub>N<sub>12</sub>O<sub>4</sub>)(C<sub>5</sub>H<sub>8</sub>N<sub>2</sub>)]·2C<sub>6</sub>H<sub>5</sub>Cl, the central Mn<sup>II</sup> ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-di­methyl­imidazole ligand in the apical site. Two chloro­benzene solvent mol­ecules are also present in the asymmetric unit. Due to the apical imidazole ligand, the Mn atom is displaced out of the 24-atom porphyrin mean plane by 0.66 Å. The average Mn—N<sub>p</sub> (p = porphyrin) bond length is 2.143 (8) Å, and the axial Mn—N<sub>Im</sub> (Im = 2,5-di­methyl­imidazole) bond length is 2.171 (8) Å. The structure displays inter­molecular and intra­molecular N—H⋯O, N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonding. The crystal studied was refined as a two-component inversion twin.<span><figure><span><img><ol><li><span>Download : <span>Download high-res image (457KB)</span></span></li><li><span>Download : <span>Download full-size image</span></span></li></ol></span></figure></span></p></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 6","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2414314624000610","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

Abstract

In the title compound, the central MnII ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-di­methyl­imidazole ligand in the apical site. Two chloro­benzene solvent mol­ecules are also present in the asymmetric unit.

In the title compound, [Mn(C68H44N12O4)(C5H8N2)]·2C6H5Cl, the central MnII ion is coordinated by four pyrrole N atoms of the porphyrin core in the basal sites and one N atom of the 2,5-di­methyl­imidazole ligand in the apical site. Two chloro­benzene solvent mol­ecules are also present in the asymmetric unit. Due to the apical imidazole ligand, the Mn atom is displaced out of the 24-atom porphyrin mean plane by 0.66 Å. The average Mn—Np (p = porphyrin) bond length is 2.143 (8) Å, and the axial Mn—NIm (Im = 2,5-di­methyl­imidazole) bond length is 2.171 (8) Å. The structure displays inter­molecular and intra­molecular N—H⋯O, N—H⋯N, C—H⋯O and C—H⋯N hydrogen bonding. The crystal studied was refined as a two-component inversion twin.

  1. Download : Download high-res image (457KB)
  2. Download : Download full-size image

(2,5-二甲基咪唑){N,N′,N′′,N′′′-[卟吩-5,10,15,20-四(2,1-亚苯)]四(吡啶-3-甲酰胺)}锰(II)氯苯二溶剂化物
在标题化合物[Mn(C68H44N12O4)(C5H8N2)]-2C6H5Cl 中,中心 MnII 离子在基部位点与卟啉核心的四个吡咯 N 原子配位,在顶端位点与 2,5-二甲基咪唑配体的一个 N 原子配位。不对称单元中还有两个氯苯溶剂分子。由于顶端的咪唑配体,锰原子从 24 个原子的卟啉平均平面移出 0.66 Å。平均 Mn-Np(p = 卟啉)键长为 2.143(8)埃,轴向 Mn-NIm(Im = 2,5-二甲基咪唑)键长为 2.171(8)埃。该结构显示了分子间和分子内的 N-H...O、N-H...N、C-H...O 和 C-H...N 氢键。所研究的晶体被细化为双组分反转孪晶。
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
0.30
自引率
0.00%
发文量
0
×
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:481959085
Book学术官方微信