Crystal structures of trans-di­chlorido­tetra­kis­[1-(2,6-diiso­propyl­phen­yl)-1H-imidazole-ΚN³]iron(II), trans-di­bromido­tetra­kis­[1-(2,6-diiso­propyl­phen­yl)-1H-imidazole-ΚN³]iron(II) and trans-di­bromido­tetra­kis­[1-(2,6-diiso­propyl­phen­yl)-1H-imidazole-ΚN³]iron(II) diethyl ether disolvate

Mafua, Roger; Jenny, Titus A.; Labat, Gael; Neels, Antonia; Stoeckli-Evans, Helen

doi:10.1107/S1600536814014056

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Crystal structures of trans-dichloridotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-ΚN³]iron(II), trans-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-ΚN³]iron(II) and trans-dibromidotetrakis[1-(2,6-diisopropylphenyl)-1H-imidazole-ΚN³]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

15.08.2014

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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 Fe^II 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 Fe^II 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

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