Mafua, Roger
Jenny, Titus A.
Labat, Gael
Neels, Antonia
Stoeckli-Evans, Helen
2014-08-15
The title compounds, [FeCl₂(C₁₅H₂₀N₂)₄], (I), [FeBr₂(C₁₅H₂₀N₂)₄], (II), and [FeBr₂(C₁₅H₂₀N₂)₄]·2C₄H₁₀O, (II<i>b</i>), respectively, all have triclinic symmetry, with (I) and (II) being isotypic. The Fe<sup>II</sup> atoms in each of the structures are located on an inversion center. They have octahedral Fe<i>X</i>₂N₄ (<i>X</i> = Cl and Br, respectively) coordination spheres with the Fe<sup>II</sup> atom coordinated by two halide ions in a <i>trans</i> arrangement and by the tertiary N atom of four arylimidazole ligands [1-(2,6-diisopropylphenyl)-1<i>H</i>-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 (II<i>b</i>). 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 (II<i>b</i>), 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 (II<i>b</i>) 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 <i>via</i> pairs of C-H...halogen hydrogen bonds, forming chains along the <i>a</i> axis that enclose <i>R</i>₂²(12) ring motifs. The chains are linked by C-H...π interactions, forming sheets parallel to (001). In the structure of compound (II<i>b</i>), molecules are linked <i>via</i> pairs of C-H...halogen hydrogen bonds, forming chains along the <i>b</i> axis, and the diethyl ether solvent molecules are attached to the chains <i>via</i> 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 (II<i>b</i>), one of the ethyl groups of the diethyl ether solvent molecule is disordered over two positions (occupancy ratio = 0.5:0.5).
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info:eu-repo/semantics/altIdentifier/doi/10.1107/S1600536814014056
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Acta Crystallographica Section E Structure Reports Online. - 2014, vol. 70, no. 8, p. 72–76
arylimidazole
iron(II)
crystal structure
info:eu-repo/classification/udc/548
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
http://purl.org/coar/resource_type/c_6501