[Cd(2-nitrobenzoate)2(3,5-dimethylpyrazole)(H2O)]4 | 947591-82-4

• 英文名称: [Cd(2-nitrobenzoate)2(3,5-dimethylpyrazole)(H2O)]4
• CAS: 947591-82-4
• 化学式: C₇₆H₇₂Cd₄N₁₆O₃₆
• 分子量: 2235.13
• InChiKey: LWJWETJOXBAALD-UHFFFAOYSA-F

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：

  3,5-二甲基吡唑 、 邻硝基苯甲酸 、 cadmium(II) acetate dihydrate 以 甲醇 为溶剂， 以51%的产率得到[Cd(2-nitrobenzoate)2(3,5-dimethylpyrazole)(H2O)]4
  参考文献：
  名称：

  Structural variations in self-assembled cadmium benzoate complexes

  摘要：

  A series of mixed ligand cadmium(II) complexes having 3,5-dimethylpyrazole and aromatic carboxylate are structurally characterized. The effect of substituent on aromatic ring and also the effect of composition on co-ordination behavior of these complexes are ascertained. Hydrogen bonded self-assembled mononuclear complexes are obtained from composition [Cd(L)2(La)2] where L. = 3,5-dimethylpyrazole L = R-C6H4COO- [R = H (1), 2-Cl (2), 4-OH (3), 2-OH (4)]. The cadmium complex (5) having composition [Cd(L)2(L.)(H2O)] (L = 2-NO2-C6H4COO-) is tetra-nuclear. The complex has eight and six co-ordination around cadmium and self-assembles through hydrogen bonding leading to form extended chain structure. The four complexes (1-4) have six co-ordinated trigonal prismatic geometry around cadmium ions. Cadmium complexes having composition [Cd(L)2(L,)] such as R = 4-NO2 (6), 4-Cl (7), and I naphthoate complex (8) are co-ordination polymers with seven co-ordination geometry around cadmium. In these co-ordination polymers different Cd-Cd distances are observed for alternate pair of cadmium ions. For example in the case of the co-ordination polymer of 4-nitro-benzoate complex the Cd-Cd distance between alternate pairs are 4.138 A, and 3.748 A. The 1-naphthoate complex having pyridine has composition [Cd(L)(2)(Lb)(2)](H2O)] (9) where L-b = pyridine and L = 1-naphthoate has seven co-ordination with a distorted pentagonal bipyramid geometry. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.01.005