[Cd(4-cyanobenzoato)2(pyridine)2(H2O)] | 954416-04-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Cd(4-cyanobenzoato)2(pyridine)2(H2O)]
• CAS: 954416-04-7
• 化学式: C₂₆H₂₀CdN₄O₅
• 分子量: 580.879
• InChiKey: DJLQFGPTXDMCQI-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 、 cadmium(II) nitrate tetrhydrate 、 对氰基苯甲酸 、 水 以 乙醇 、 水 为溶剂， 以73%的产率得到[Cd(4-cyanobenzoato)2(pyridine)2(H2O)]
  参考文献：
  名称：

  Synthesis, crystal structures and magnetic properties of three new 4-cyanobenzoate complexes

  摘要：

  Three new 4-cyanobenzoate coordination complexes have been prepared, and their structures have been characterized by single-crystal X-ray diffraction. In [Cd(4-cba)(2)(py)(2)(H2O)] 1 and [Mn(4-cba)(2)(phen)(H2O)2] 2 (4-Hcba=4-cyanobenzoic acid, py=pyridine, phen = 1 10-phenanthroline), carboxylate groups exhibit chelated bidentate and terminal monodentate coordination modes, respectively, to give discrete mononuclear units, which are linked by hydrogen bonds and face-to-face pi-pi stacking interactions to produce a 2-D supramolecular network. In [Mn(4-cba)(2)(H2O)(2)](n) 3, the Mn(II) atoms are bridged by carboxylate groups of 4-cba ligands in the syn-skew bidentate mode in two directions to form a 2-D grid-like framework with a (4,4) topology, and there also exist hydrogen bonds and face-to-face pi-pi stacking interactions in the layers. Variable-temperature magnetic susceptibility data show the presence of weak antiferromagnetic interactions with theta=-1.13(5) K in 2 and significant antiferromagnetic ordering (T-N = 7.0 K) with theta=-11.40(5) K in 3. The thermogravimetric analyses of the three complexes have also been discussed. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2006.12.013