Cu2(([(1Z)-(3,5-dichloro-2-oxyphenyl)methylene]amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)2 | 934348-61-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Cu2(([(1Z)-(3,5-dichloro-2-oxyphenyl)methylene]amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)2
• CAS: 934348-61-5
• 化学式: C₃₆H₂₈Cl₄CuN₆O₄
• 分子量: 814.014
• InChiKey: XEBXSFSSLCJUED-IFGXXEOASA-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：

  4-([(1Z)-(3,5-dichloro-2-hydroxyphenyl)methylene]amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 、 copper(II) acetate monohydrate 以 乙醇 、 氯仿 为溶剂， 生成 Cu2(([(1Z)-(3,5-dichloro-2-oxyphenyl)methylene]amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)2
  参考文献：
  名称：

  Synthesis, spectral characterization and structural investigation on some 4-aminoantipyrine containing Schiff base Cu(II) complexes and their molecular association

  摘要：

  Compounds [Cu(L-1)(2)] (1) and [Cu(L-2)(2)] (2), where L-1 and L-2 are Schiff base ligands of 4-aminoantipyrine and substituted salicylaldehydes, were synthesized and characterized using various spectroscopic techniques such as elemental analysis, UV-Vis, IR, and NMR. The single crystal X-ray structures for L-1, L-2, and their corresponding Cu(II) complexes assembled in a 1:2 metal to ligand ratio were analyzed for their various weak H-bonding and dimeric association. The structural analysis of compounds 1 and 2, being the first crystal structures in this series, deserves special attention to help further the understanding in this area of structure-reactivity correlation studies. Further these compounds, composed of very similar chemical composition with a small difference in the substituent on the salicylaldehyde moiety, influenced through various weak inter- and intramolecular H-bonding and C-H center dot center dot center dot pi interactions, rearrange the geometry around Cu(II) from a tetrahedrally distorted square planar geometry in [Cu(L-1)(2)] (1) to square planar in [Cu(L-2)(2)] (2). Steric strain imposed by the methyl substitution on the 4-aminoantipyrine moiety of the Schiff base ligand, causing this small change of the Cu(II) geometry, along with various weak interactions is analyzed in detail. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.09.004