[Co(methylglyoxime(1-))2(thiourea)2][BF4]*water | 773157-64-5

• 英文名称: [Co(methylglyoxime(1-))2(thiourea)2][BF4]*water
• 英文别名: [Co(MH)2(Thio)2][BF4]*H2O
• CAS: 773157-64-5
• 化学式: BF₄*C₈H₁₈CoN₈O₄S₂*H₂O
• 分子量: 518.227
• InChiKey: SYNCLBKFXIIVEQ-DLLBHHNLSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  cobalt(II) tetrafluoroborate hexahydrate 、 2-hydroxyimino-propionaldehyde oxime 、 水 、 硫脲 以 甲醇 、 水 为溶剂， 以40%的产率得到[Co(methylglyoxime(1-))2(thiourea)2][BF4]*water
  参考文献：
  名称：

  Synthesis, Crystal and Molecular Structures of [Co(MH)₂(Thio)₂][BF₄] · H₂O and [Co(DH)₂(NH₃)₂][BF₄]

  摘要：

  Crystal structures of [Co(MH)(2)(Thio)(2)][BF4] (.) H2O (I) and [Co(DH)(2)(NH3)(2)][BF4] (II), where MH- is H3C-C(NOH)-C(NO-)-H and DH- is H3C-C(NOH)-C(NO-)-CH3, were determined by X-ray diffraction. The crystals are monoclinic, space group C2/c, unit cell parameters (for I and II, respectively): a = 22.018(2) Angstrom, b = 7.943(1) Angstrom, c = 11.681(1) Angstrom, beta = 92.68(1) and a = 21.436(2) Angstrom, b = 6.400(2) Angstrom, c = 12.389(2) Angstrom, beta = 113.13(1)degrees. In both cases, the Co(III) coordination polyhedron is a centrosymmetrical trans-octahedron, N4S2 for I and N-6 for II. In the crystals of I and II, the complex cations and the outer-sphere [BF4](-) anions (and the crystal water molecules in I) form elaborate hydrogen bonding system.

  DOI：

  10.1023/b:ruco.0000026004.00556.10