[Mn(2,2'bipyrimidine)3(2-dicyanomethylene-1,1,3,3-tetracyanopropanediide)2(H2O)2] | 861229-05-2

• 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(2,2'bipyrimidine)3(2-dicyanomethylene-1,1,3,3-tetracyanopropanediide)2(H2O)2]
• 英文别名: [Mn(bpyn)3(tcpd)2(H2O)2]]
• CAS: 861229-05-2
• 化学式: C₄₄H₂₂Mn₂N₂₄O₂
• 分子量: 1028.69
• InChiKey: KCKFQZMVLGEUDJ-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：

  manganese(II) chloride tetrahydrate 、 水 、 potassium 2-dicyanomethylene-1,1,3,3-tetracyanopropanediide 、 2 2'-联嘧啶 以 水 为溶剂， 以63%的产率得到[Mn(2,2'bipyrimidine)3(2-dicyanomethylene-1,1,3,3-tetracyanopropanediide)2(H2O)2]
  参考文献：
  名称：

  The cyanocarbanion (C[C(CN)2]3)2− as monodentate ligand: Synthesis, structure and magnetic properties of [Mn2(bpym)3(tcpd)2(H2O)2] (tcpd2−=(C[C(CN)2]3)2− and bpym=2,2′-bipyrimidine)

  摘要：

  One-pot reaction between MnCl2 center dot 4H(2)O, K(2)tcpd (tcpd(2-) = [C10N6](2-) = (C[C(CN)(2)](3))(2-) = 2-dicyanomethylene-1,1,3,3-tetracyanopropanediide anion) and 2,2'-bipyriniidine (bpym = C8H6N4) in aqueous solution yields the new compound [Mn-2(bpym)(3)(tcpd)(2)(H2O)(2)] (1). The molecular structure of 1 consists of a centrosymmetrical binuclear complex which includes unprecedented unidentate tcpd ligands with two bidentate and a bis-chelate bpyrn units. Examination of the intermolecular distances reveals that the dinuclear units are held together by hydrogen bonds involving coordinated water molecules and two nitrile groups of the tcpd ligand, giving rise to a 2D structure overall. Variable-temperature magnetic susceptibility data show the occurrence of slight antiferromagnetic coupling (J = -0.58 cm(-1)) between the Mn(II) ions through bridging bpym (the exchange Hamiltonian being defined as (H) over cap = -2J (S) over cap (A)center dot(S) over cap (B)). (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.04.030