Ni(dicyanamide)2(para-aminobenzonitrile)2(H2O)2 | 921600-17-1

• 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: Ni(dicyanamide)2(para-aminobenzonitrile)2(H2O)2
• 英文别名: Ni(dca)2(para-ABN)2(H2O)2
• CAS: 921600-17-1
• 化学式: C₁₈H₁₆N₁₀NiO₂
• 分子量: 463.081
• InChiKey: ZKTUHGGNOLATFW-UHFFFAOYSA-N

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：

  nickel(II) nitrate hexahydrate 、 sodium dicyanamide 、 对氨基苯腈 以 甲醇 、 水 为溶剂， 生成 Ni(dicyanamide)2(para-aminobenzonitrile)2(H2O)2
  参考文献：
  名称：

  Synthesis, crystal structures and magnetic properties of five new metal(II) compounds constructed with isomers of aminobenzonitrile and dicyanamide ligands

  摘要：

  Five new compounds formulated as [Ni-11(dca)(2)(para-ABN)(2)(H2O)(2)] (1), [Cu-11(dca)(2)(para-ABN)(2)(H2O)(2)] (2), [Cu-11(dca)(2)-(para-ABN)(2)](n), (3), [Cu-11(dca)(2)(ortho-ABN)(2)](n), (4) and [Cd-11(dca)(2)(meta-ABN)(2)](n) (5), where dca=dicyanamide and ABN=aminobenzonitrile, have been synthesized and characterized by single crystal X-ray diffraction studies and low temperature (300-2K) magnetic measurements. The structural analyses revealed that I and 2 are isomorphous where dca and para-ABN both act as monodentate ligands. 3 consists of infinite double stranded chains of Cu(II) ions connected through the para-ABN bridges whereas 4 and 5 consist of infinite double stranded chains of Cu(II) and Cd(II) respectively, connected through mu(1.5)-dca bridges. The compounds extend their geometries to three-dimensional for 1-3 and 5 and two-dimensional for 4 through hydrogen bonding interactions. All the metal ions Ni2+, Cu2+ and Cd2+ are located on inversion centres and have distorted octahedral coordination geometries. The variable temperature magnetic susceptibility measurements show that the global feature of the chi(M) T versus T curves for 3 and 4 is characteristic of very weak antiferromagnetic interactions and between 300 and 2 K the best fit parameters were determined as J=-2.35 and -5.1 cm(-1) respectively. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.08.008