[Mn(NCS)2(1,2-bis(4-pyridyl)ethylene)2(H2O)2] | 278779-49-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Mn(NCS)2(1,2-bis(4-pyridyl)ethylene)2(H2O)2]
• 英文别名: [Mn(NCS)2(bpe)2(H2O)2]
• CAS: 278779-49-0；1146913-69-0
• 化学式: C₂₆H₂₄MnN₆O₂S₂
• 分子量: 571.586
• InChiKey: HRBZGLICHLICMN-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：

  potassium thioacyanate 、 1,2-双吡啶基乙烯 、 manganese (II) nitrate tetrahydrate 以 甲醇 、 水 为溶剂， 生成 [Mn(NCS)2(1,2-bis(4-pyridyl)ethylene)2(H2O)2]
  参考文献：
  名称：

  Supramolecular 2D structures in [M(NCS)2(bpe)2(H2O)2] (M=Mn, Fe) systems connected by hydrogen bonds

  摘要：

  Here we report the synthesis and characterization by X-ray diffraction, FTIR, UV-Vis and EPR spectroscopies, and the magnetic measurements of two new compounds: [Mn(NCS)(2)(bpe)(2)(H2O)(2)] (1) and [Fe(NCS)(2)(bpe)(2)(H2O)(2)] (2) (bPe = 1,2-bis(4-pyridyl)ethylene). Single-crystal structure analyses reveals discrete octahedral metal units that are assembled into 2D sheets through O-Hw center dot center dot center dot N(bpe) and O-Hw center dot center dot center dot S(thiocyanate) hydrogen bonds. The intermetallic M center dot center dot center dot M distances are 6.90 and 6.87 angstrom for 1 and 2, respectively. Supramolecular architectures are obtained by connections through H-bonds. Slight interactions are observed for compound 2. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.12.040