双（苄胺-κN）[5,10,15,20-四-（4-氯苯基）卟啉合-κ(4)N]铁（II）正己烷单溶剂合物的晶体结构
Crystal structure of bis-(benzyl-amine-κN)[5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinato-κ(4) N]iron(II) n-hexane monosolvate.
作者信息
Dhifaoui Selma, Harhouri Wafa, Bujacz Anna, Nasri Habib
机构信息
Laboratoire de Physico-chimie des Matériaux, Faculté des Sciences de Monastir, Avenue de l'environnement, 5019 Monastir, University of Monastir, Tunisia.
X-Ray Analysis Laboratory, Institute of Technical Biochemistry, Lodz University of Technology, Stefanowskiego 4/10, 90-924 Lodz, Poland.
出版信息
Acta Crystallogr E Crystallogr Commun. 2016 Jan 1;72(Pt 1):102-5. doi: 10.1107/S2056989015024135.
In the title compound, [Fe(II)(C44H24Cl4N4)(C6H5CH2NH2)2]·C6H14 or [Fe(II)(TPP-Cl)(BzNH2)2]·n-hexane [where TPP-Cl and BzNH2 are 5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinate and benzyl-amine ligands, respectively], the Fe(II) cation lies on an inversion centre and is octa-hedrally coordinated by the four pyrrole N atoms of the porphyrin ligand in the equatorial plane and by two amine N atoms of the benzyl-amine ligand in the axial sites. The crystal structure also contains one inversion-symmetric n-hexane solvent mol-ecule per complex mol-ecule. The average Fe-Npyrrole bond length [1.994 (3) Å] indicates a low-spin complex. The crystal packing is sustained by N-H⋯Cl and C-H⋯Cl hydrogen-bonding inter-actions and by C-H⋯π inter-molecular inter-actions, leading to a three-dimensional network structure.
在标题化合物[Fe(II)(C₄₄H₂₄Cl₄N₄)(C₆H₅CH₂NH₂)₂]·C₆H₁₄或[Fe(II)(TPP-Cl)(BzNH₂)₂]·正己烷[其中TPP-Cl和BzNH₂分别为5,10,15,20-四(4-氯苯基)卟啉和苄胺配体]中，Fe(II)阳离子位于一个对称中心上，在赤道平面上由卟啉配体的四个吡咯N原子以及在轴向位置由苄胺配体的两个胺N原子进行八面体配位。晶体结构中每个配合物分子还包含一个对称的正己烷溶剂分子。平均Fe-N吡咯键长[1.994(3)Å]表明这是一个低自旋配合物。晶体堆积通过N-H⋯Cl和C-H⋯Cl氢键相互作用以及C-H⋯π分子间相互作用得以维持，从而形成三维网络结构。
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