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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Synthesis and characterization of (cryptand-222)-potassium (2-methylimidazolato)(meso-tetra-phenylporphinato)ferrate(ll)-2-methylimidazole-tetrahydrofuran (1/1/2)
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Synthesis and characterization of (cryptand-222)-potassium (2-methylimidazolato)(meso-tetra-phenylporphinato)ferrate(ll)-2-methylimidazole-tetrahydrofuran (1/1/2)

机译:(Cryptand-222) - 钾(2-甲基咪唑)(Meso-Tetra-Phorlphinato)铁酸盐(L1)-2-甲基咪唑 - 四氢呋喃(1/1/2)的合成和表征

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摘要

Metalloporphyrin complexes containing an additional imidazole ligand can provide information about the effect of deprotonation or hydrogen bonding on the axial histidine unit in heme proteins. The title high-spin five-coordinate imidazolate-ligated iron(II) porphyrinate, [K(C_18H_36N_2O_6)][Fe(C_4H_5N_2)(C_44-H_28N_4)]·C_4H_6N_2·2C_4H_8O, has been synthesized and investigated. The solvated salt crystallizes with one 2-methylimidazole molecule, two tetrahydrofuran solvent molecules and a potassium cation chelated inside a cryptand-222 (4,7,13,16,21,24-hexaoxa-l,10-diazabicyclo[8.8.8]hexacosane) molecule. The imidazolate ligand is ordered. The average Fe-Np (Np is a porphyrin N atom) bond length is 2.113 (11) A and the axial Fe-N_Im (N_Im is an imidazolate N atom) is 2.0739 (13) A. The out-of-plane displacement of the Fe~II atom from the 24-atom mean plane is 0.6098 (5) A, indicating an apparent doming of the porphyrin core.
机译:含有另外的咪唑配体的金属卟啉配合物可以提供有关血红素蛋白轴向组氨酸单元上的去质子化或氢键的作用的信息。 标题高旋转五坐标咪唑酸盐连接的铁(II)卟啉,[k(C_18H_36N_2O_6)] [Fe(C_4H_5N_2)] [Fe(C_4H_5N_2)]·C_4H_6N_2·2C_4H_8O已被合成和研究。 溶剂化盐用一个2-甲基咪唑分子结晶,两种四氢呋喃溶剂分子和粘附的钾阳离子螯合在碱基中(4,7,13,16,21,24-六氧肟-1,10-二氮杂双环[8.8.8] 六烷糖)分子。 咪唑酸酯配体被命令。 平均Fe-NP(NP是卟啉N原子)键合长度为2.113(11)A,轴向Fe-N_IM(N_IM是咪唑酯N原子)为2.0739(13)A.外平面位移 来自24原子平均平均平均平均的Fe〜II原子为0.6098(5)A,表明卟啉核心的表观圆形。

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