[copper(II)(imidazole)2(α-thiophene carboxylate)2(water)] | 1011457-64-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [copper(II)(imidazole)2(α-thiophene carboxylate)2(water)]
• 英文别名: [Cu(II)(im)2(tpa)2H2O]
• CAS: 1011457-64-9
• 化学式: C₁₆H₁₆CuN₄O₅S₂
• 分子量: 472.005
• InChiKey: VLWCPKNDFNRERN-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：

  咪唑 、 2-噻吩甲酸 、 [Cu2(OAc)4(H2O)2] 在 CH₃COOH 、 NaOH 作用下， 以 乙醇 、 水 为溶剂， 以35%的产率得到[copper(II)(imidazole)2(α-thiophene carboxylate)2(water)]
  参考文献：
  名称：

  Syntheses, Crystal Structures and Properties of Two Novel Supramolecular Complexes with α‐Thiophene Carboxylate, [Pb(phen)(tpa)₂] and [Cu(im)₂(tpa)₂H₂O] (phen=1, 10‐phenanthroline, tpa=thiophene carboxylic acid, im=imidazole)

  摘要：

  Two novel supramolecular complexes with alpha-thiophene carboxylic acid, [Pb(phen)(tpa)2] (1) and [CU(im)(2)(tpa)(2)H2O](2), have been synthesized, their crystal structures are deterimined by X-ray diffraction analyses, the fluorescence and thermal stable properties are researched. The crystal structure of 1 belongs to monoclinic system with space group P2(1)/c, the coordination environment around Pb(II) center is described as a distorted quadrangle pyramid geometry, two nitrogen atoms from one phen molecule and two oxygen atoms from two alpha-thiophene carboxylate are located at quadrangle pyramid bottom, Pb(II) situates at pyramid top. The crystal structure of 2 belongs to monoclinic system with space group C2/c, two nitrogen atoms from two imidazole molecules and two oxygen atoms from two alpha-thiophene carboxylate occupied at quadrangle pyramid bottom and oxygen atom of one water molecule located apical positions are coordinated to Cu(II) center to constructe a distorted quadrangle pyramid geometry.

  DOI：

  10.1080/15533170701316726