首页> 外文OA文献 >Iodido{4-phenyl-1-[1-(1,3-thia­zol-2-yl-κN)ethyl­idene]thio­semicarbazidato-κ2 N′,S}{4-phenyl-1-[1-(1,3-thia­zol-2-yl)ethyl­idene]thio­semicarbazide-κS}mercury(II)
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Iodido{4-phenyl-1-[1-(1,3-thia­zol-2-yl-κN)ethyl­idene]thio­semicarbazidato-κ2 N′,S}{4-phenyl-1-[1-(1,3-thia­zol-2-yl)ethyl­idene]thio­semicarbazide-κS}mercury(II)

机译:碘代{4-苯基-1- [1-(1,3-噻唑-2-基-κN)乙叉基]硫代半碳肼基-κ2 N',S} {4-苯基-1- [1-(1,3-噻唑-2-基)乙叉基]硫代半氨基叠氮化物-κS}汞(II)

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摘要

In the title compound, [Hg(C12H11N4S2)I(C12H12N4S2)], the Hg atom is in a distorted square-pyramidal coordination, defined by the iodide ligand, by the S atom of the neutral ligand in the apical position, and by the N atom of the thia­zole ring, the thio­ureido N and the S atom of the deprotonated ligand. The deprotonated ligand intra­molecularly hydrogen bonds to the thia­zole ring N atom, while the deprotonated ligand forms an inter­molecular hydrogen bond to the thiol­ate S atom. The deprotonation of the tridentate ligand and its coordination to Hg via the S atom strikingly affects the C—S bond lengths. In the free ligand, the C—S bond distance is 1.685 (7) Å, whereas it is 1.749 (7) Å in the deprotonated ligand. Similarly, the Hg—S bond distance is slightly longer to the neutral ligand [2.6682 (18) Å] than to the deprotonated ligand [2.5202 (19) Å]. The Hg—I distance is 2.7505 (8) Å.
机译:在标题化合物[Hg(C12H11N4S2)I(C12H12N4S2)]中,Hg原子呈扭曲的方锥体配位,由碘化物配体,中性配体的S原子位于顶端位置以及噻唑环的N原子,硫脲基N和去质子化配体的S原子。去质子化的配体在分子内氢键合到噻唑环N原子上,而去质子化的配体形成在硫醇酸酯S原子上的分子间氢键。三齿配体的去质子化及其通过S原子与Hg的配位显着影响CS键的长度。在游离配体中,CS键距为1.685(7)Å,而在去质子化配体中为1.749(7)Å。同样,Hg-S键距中性配体[2.6682(18)]的距离比去质子化配体[2.5202(19)]的距离稍长。 Hg-I距离为2.7505(8)Å。

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