Co(4-nitrobenzoate)2(pyridine)2(H2O)2 | 1233932-97-2

• 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: Co(4-nitrobenzoate)2(pyridine)2(H2O)2
• CAS: 1233932-97-2
• 化学式: C₂₄H₂₂CoN₄O₁₀
• 分子量: 585.453
• InChiKey: OUXYVRQNWNPVKP-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

• 作为反应物：
  描述：

  Co(4-nitrobenzoate)2(pyridine)2(H2O)2 以 二氯甲烷 为溶剂， 生成 [Co(4-nbz)2(py)2]
  参考文献：
  名称：

  Cobalt(II) 4-nitrobenzoates having pyridine as ancillary ligands and their catalytic role in the TBHP oxidation of alcohols

  摘要：

  By making use of the Co2+/pyridine (py)/O2N-4-C6H4CO2- (4-nbz) system it has been possible to isolate two new complexes with markedly different stabilities: a purple form [Co(4-nbz)(2)(py)(2)] (1) and a pink form [Co(4-nbz)(2)(py)(2)(H2O)(2)] (2). These compounds have been characterized by single crystal X-ray diffraction. Compound 1 may be described as approximately tetrahedral, while compound 2 has Co(II) in a nearly octahedral environment. Both pi-pi stacking and weak C-H center dot center dot center dot O interactions appear to contribute to the moderate stability of the tetrahedral complex in the solid state. 2 displays an interesting supramolecular layered structure which is stabilized further by interlayer C-H center dot center dot center dot O interactions. Facile interconversion between 1 and 2 is found to occur in solid as well as solution phases. Apart from the synthesis, structure and spectral properties of these compounds, catalytic activity of 1 in the tert-butyl hydroperoxide (TBHP) oxidation of alcohols is also discussed in this paper. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.03.014
• 作为产物：
  描述：

  [Co(4-nbz)2(py)2] 以 甲醇 为溶剂， 以61%的产率得到Co(4-nitrobenzoate)2(pyridine)2(H2O)2
  参考文献：
  名称：

  Cobalt(II) 4-nitrobenzoates having pyridine as ancillary ligands and their catalytic role in the TBHP oxidation of alcohols

  摘要：

  By making use of the Co2+/pyridine (py)/O2N-4-C6H4CO2- (4-nbz) system it has been possible to isolate two new complexes with markedly different stabilities: a purple form [Co(4-nbz)(2)(py)(2)] (1) and a pink form [Co(4-nbz)(2)(py)(2)(H2O)(2)] (2). These compounds have been characterized by single crystal X-ray diffraction. Compound 1 may be described as approximately tetrahedral, while compound 2 has Co(II) in a nearly octahedral environment. Both pi-pi stacking and weak C-H center dot center dot center dot O interactions appear to contribute to the moderate stability of the tetrahedral complex in the solid state. 2 displays an interesting supramolecular layered structure which is stabilized further by interlayer C-H center dot center dot center dot O interactions. Facile interconversion between 1 and 2 is found to occur in solid as well as solution phases. Apart from the synthesis, structure and spectral properties of these compounds, catalytic activity of 1 in the tert-butyl hydroperoxide (TBHP) oxidation of alcohols is also discussed in this paper. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.03.014

文献信息

• Polymorphism in an Aqua‐Bridged, Dinuclear 2‐Nitrobenzoate Complex of Cobalt(II)
  作者：Anirban Karmakar、Rupam J. Sarma、Jubaraj B. Baruah

  DOI：10.1002/ejic.200600915

  日期：2007.2

  Three polymorphs of a dinuclear, aqua-bridged cobalt complex with the composition [Co2(μ-OH2)(C5H5N)4(μ-O2CC6H4-2-NO2)2(O2CC6H4-2-NO2)2] are identified and the crystal structures are determined by X-ray crystallography. Selective crystallisation of the polymorphs can be achieved by controlling the reaction conditions as well as the crystallisation processes. The reaction of cobalt(II) acetate tetrahydrate

  确定了组成为 [Co2(μ-OH2)(C5H5N)4(μ-O2CC6H4-2-NO2)2(O2CC6H4-2- )2] 的双核水桥钴络合物的三种多晶型物，并确定了晶体结构由 X 射线晶体学确定。多晶型物的选择性结晶可以通过控制反应条件以及结晶过程来实现。四水合乙酸钴 (II) 与 2-硝基苯甲酸反应，然后用过量的吡啶处理，生成组成为 [Co(H2O)2( )2(O2CC6H4-2- )2] 的单核络合物。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)