bis(1-ethoxycarbonylpiperazine-4-carbodithioato)(pyridine)cadmium hydrate | 1352829-91-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 英文名称: bis(1-ethoxycarbonylpiperazine-4-carbodithioato)(pyridine)cadmium hydrate
• 英文别名: Cd(ecpzdtc)2(py)*H2O
• CAS: 1352829-91-4
• 化学式: C₂₁H₃₁CdN₅O₄S₄*H₂O
• 分子量: 676.198
• InChiKey: GMYYGSIHZBMZKN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  吡啶 、 sodium 4-(ethoxycarbonyl)piperazine-1-carbodithioate 、 cadmium(II) acetate dihydrate 以 吡啶 、 甲醇 为溶剂， 以50%的产率得到bis(1-ethoxycarbonylpiperazine-4-carbodithioato)(pyridine)cadmium hydrate
  参考文献：
  名称：

  Synthesis, spectral and structural studies of 1-ethoxycarbonyl-piperazine-4-carbodithioate and its Co(III), Zn(II) and Cd(II) complexes

  摘要：

  The new complexes [Co(ecpzdtc)(3)] (2) [Zn(ecpzdtc)(2)(py)] (3) and [Cd(ecpzdtc)(2)(py)]center dot H2O (4) have been synthesized from sodium 1-ethoxycarbonyl-piperazine-4-carbodithioate [(Na+(ecpzdtc)(-)]. The ligand and the complexes have been characterized by elemental analyses, IR, magnetic susceptibility and single crystal X-ray data. The [Zn(ecpzdtc)(2)(py)] and [Cd(ecpzdtc)(2)(py)]center dot H2O complexes contain pyridine as the co-ligand. [Co(ecpzdtc)(3)] (2) crystallizes in the monoclinic system, whereas [Zn(ecpzdtc)(2)(py)] (3) and [Cd(ecpzdtc)(2)(py)]center dot H2O (4) crystallize in the triclinic system. The sulfur donor sites of the bidentate ligand chelate the metal center, forming a four-membered CS2M ring. The cobalt complex has a distorted octahedral geometry, the zinc complex is almost between trigonal bipyramidal and square pyramidal, whereas the cadmium complex is square pyramidal. The crystal structures of all the complexes are stabilized by various types of inter and intramolecular hydrogen bonding. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.09.036