aqua-bis(imidazole)(thiodiacetato)copper(II) | 850635-70-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: aqua-bis(imidazole)(thiodiacetato)copper(II)
• CAS: 850635-70-0
• 化学式: C₁₀H₁₄CuN₄O₅S
• 分子量: 365.857
• InChiKey: CNIZYALAKCRVFZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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 、 Cu(thiodiacetate) 以 水 为溶剂， 以77%的产率得到aqua-bis(imidazole)(thiodiacetato)copper(II)
  参考文献：
  名称：

  Thiodiacetato-copper(II) chelates with or without N-heterocyclic donor ligands: molecular and/or crystal structures of [Cu(tda)]n, [Cu(tda)(Him)2(H2O)] and [Cu(tda)(5Mphen)]·2H2O (Him=imidazole, 5Mphen=5-methyl-1,10-phenanthroline)

  摘要：

  Three new thiodiacetato-Cu(II) chelates have been synthesized and studied by X-ray crystallography and by thermal, spectral and magnetic methods. [Cu(tda)](n) (1) is a 3D-polymer with a pentadentate tda, which acts with afac-O-2 + S(apical)-tridentate chelating conformation and as a twofold anti, syn-mu-eta(1):eta(1) carboxylate bridge. In its square pyramidal Cu(II) coordination (type 4 + 1) four O(carboxylate) donors define a close regular square base, but the Cu S(apical) bond deviates 27.4 degrees from the perpendicular to the mean basal plane. Each anti,syn-bridging carboxylate group exhibits two C-O (average 1.26(1) angstrom) and two Cu-O bonds (average 1.958(7) angstrom), which are very similar in length to each other. In contrast, the mixed-ligand complexes of [Cu(tda) (Him)(2)(H2O)] (compound 2, distorted octahedral, type 4 + 1 + 1) and [Cu(tda)(5Mphen)] center dot 2H(2)O (compound 3, distorted square pyramidal, type 4 + 1) have molecular structures and the tda ligand displays only a fac-O-2, + S(apical)-tridentate conformation. The Cu-S(apical) bond lengths (2.570(1), 2.623(1) or 2.573(1) angstrom for 1, 2 or 3, respectively) are shorter than those previously reported for closely related Cu(II)-tda derivatives. The different tda ligand roles in their Cu(II) derivatives are rationalized on the basis of crystal packing forces driving in the absence or presence of auxiliary ligands (with two or three N-donor atoms). (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.12.056