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Crystal structures of <i>trans</i>-di­chlorido­tetra­kis­[1-(2,6-diiso­propyl­phen­yl)-1<i>H</i>-imidazole-Κ<i>N</i>³]iron(II), <i>trans</i>-di­bromido­tetra­kis­[1-(2,6-diiso­propyl­phen­yl)-1<i>H</i>-imidazole-Κ<i>N</i>³]iron(II) and <i>trans</i>-di­bromido­tetra­kis­[1-(2,6-diiso­propyl­phen­yl)-1<i>H</i>-imidazole-Κ<i>N</i>³]iron(II) diethyl ether disolvate

  • Mafua, Roger Department of Chemistry, University of Fribourg, Switzerland
  • Jenny, Titus A. Department of Chemistry, University of Fribourg, Switzerland
  • Labat, Gael Benefri Crystallography Service, University of Neuchâtel, Switzerland
  • Neels, Antonia Benefri Crystallography Service, University of Neuchâtel, Switzerland
  • Stoeckli-Evans, Helen Institute of Physics, University of Neuchâtel, Switzerland
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    15.08.2014
Published in:
  • Acta Crystallographica Section E Structure Reports Online. - 2014, vol. 70, no. 8, p. 72–76
English The title compounds, [FeCl₂(C₁₅H₂₀N₂)₄], (I), [FeBr₂(C₁₅H₂₀N₂)₄], (II), and [FeBr₂(C₁₅H₂₀N₂)₄]·2C₄H₁₀O, (IIb), respectively, all have triclinic symmetry, with (I) and (II) being isotypic. The FeII atoms in each of the structures are located on an inversion center. They have octa­hedral FeX₂N₄ (X = Cl and Br, respectively) coordination spheres with the FeII atom coordinated by two halide ions in a trans arrangement and by the tertiary N atom of four aryl­imidazole ligands [1-(2,6-diiso­propyl­phen­yl)-1H-imidazole] in the equatorial plane. In the two independent ligands, the benzene and imidazole rings are almost normal to one another, with dihedral angles of 88.19 (15) and 79.26 (14)° in (I), 87.0 (3) and 79.2 (3)° in (II), and 84.71 (11) and 80.58 (13)° in (IIb). The imidazole rings of the two independent ligand mol­ecules are inclined to one another by 70.04 (15), 69.3 (3) and 61.55 (12)° in (I), (II) and (IIb), respectively, while the benzene rings are inclined to one another by 82.83 (13), 83.0 (2) and 88.16 (12)°, respectively. The various dihedral angles involving (IIb) differ slightly from those in (I) and (II), probably due to the close proximity of the diethyl ether solvent mol­ecule. There are a number of C-H***Missing image substitution***halide hydrogen bonds in each mol­ecule involving the CH groups of the imidazole units. In the structures of compounds (I) and (II), mol­ecules are linked via pairs of C-H...halogen hydrogen bonds, forming chains along the a axis that enclose R₂²(12) ring motifs. The chains are linked by C-H...π inter­actions, forming sheets parallel to (001). In the structure of compound (IIb), mol­ecules are linked via pairs of C-H...halogen hydrogen bonds, forming chains along the b axis, and the diethyl ether solvent mol­ecules are attached to the chains via C-H...O hydrogen bonds. The chains are linked by C-H...π inter­actions, forming sheets parallel to (001). In (I) and (II), the methyl groups of an isopropyl group are disordered over two positions [occupancy ratio = 0.727 (13):0.273 (13) and 0.5:0.5, respectively]. In (IIb), one of the ethyl groups of the diethyl ether solvent mol­ecule is disordered over two positions (occupancy ratio = 0.5:0.5).
Faculty
Faculté des sciences et de médecine
Department
Département de Chimie
Language
  • English
Classification
Crystallography
License
License undefined
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Persistent URL
https://folia.unifr.ch/unifr/documents/303648
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