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氯代-[5,10,15,20-四-(喹啉-7-甲酰胺基)-卟吩inato]铁(III)

Chlorido-[5,10,15,20-tetra-kis-(quinoline-7-carboxamido)-porphinato]iron(III).

作者信息

Yang Jun, Zhang Cuijuan, Chu Jiaxiang

机构信息

School of Chemical Sciences University of Chinese Academy of Sciences, 101408 Beijing People's Republic of China.

出版信息

IUCrdata. 2024 Jun 4;9(Pt 6):x240496. doi: 10.1107/S2414314624004966. eCollection 2024 Jun.

DOI:10.1107/S2414314624004966
PMID:38974845
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11223685/
Abstract

The title compound, [Fe(CHNO)Cl], crystallizes in space group 2. The central Fe cation (site symmetry 2) is coordinated in a fivefold manner, with four pyrrole N atoms of the porphyrin core in the basal sites and one Cl atom (site symmetry 2) in the apical position, which completes a slightly distorted square-pyramidal environment. The porphyrin macrocycle shows a characteristic ruffled-shape distortion and the iron atom is displaced out of the porphyrin plane by 0.42 Å with the average Fe-N distance being 2.054 (4) Å; the Fe-Cl bond length is 2.2042 (7) Å. Inter-molecular C-H⋯N and C-H⋯O hydrogen bonds occur in the crystal structure.

摘要

标题化合物[Fe(CHNO)Cl]以空间群2结晶。中心铁阳离子（位点对称性2）以五配位方式配位，卟啉核的四个吡咯N原子位于基面位置，一个Cl原子（位点对称性2）位于顶端位置，形成了一个稍有扭曲的四方锥环境。卟啉大环呈现出特征性的褶皱形畸变，铁原子偏离卟啉平面0.42 Å，平均Fe-N距离为2.054(4) Å；Fe-Cl键长为2.2042(7) Å。晶体结构中存在分子间C-H⋯N和C-H⋯O氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b770/11223685/d622a9031c04/x-09-x240496-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b770/11223685/04fe3b479d58/x-09-x240496-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b770/11223685/0846e2ab56c0/x-09-x240496-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b770/11223685/d622a9031c04/x-09-x240496-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b770/11223685/04fe3b479d58/x-09-x240496-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b770/11223685/0846e2ab56c0/x-09-x240496-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b770/11223685/d622a9031c04/x-09-x240496-fig3.jpg

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