chlorocopper;prop-2-enylthiourea | 339994-64-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫脲类
• 英文名称: chlorocopper;prop-2-enylthiourea
• CAS: 339994-64-8
• 化学式: C₂₄H₄₈Cl₄Cu₄N₁₂S₆
• 分子量: 1093.12
• InChiKey: SQWMKPNFYWMBLT-UHFFFAOYSA-J

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：

  烯丙基硫脲 、 copper(II) choride dihydrate 在 HCl 作用下， 以 盐酸 、 乙醇 为溶剂， 生成 chlorocopper;prop-2-enylthiourea
  参考文献：
  名称：

  摘要：

  Crystals of the compounds 4CuCl . 6CH(2)=CH-CH2-NHCSNH2 (I) and [(CH2=CH-CH2-NH)(2)CSC2H5]Cu2ClxBr3-x (x = 0.765) (II) were synthesized by the ac electrochemical method, and their crystal structures were determined (CuKalpha and MoKalpha radiation, 2575 and 1090 unique reflections with F greater than or equal to 4 sigma (F), R = 0.050 and 0.028 for I and II, respectively). Complex I crystallizes in space group C2/c, a = 17.230(7) Angstrom, b = 12.258(5) Angstrom, c = 42.95(2) Angstrom, beta = 97.48(4)degrees, V= 8994(7)Angstrom (3), Z = 8. The structure of pi -complex II is described by space group P2(1)/n, a = 10.633(5) Angstrom, b = 9.280(5) Angstrom, c = 16.024(4) Angstrom, gamma = 102.16(3)degrees V=1546(1) Angstrom (3), Z = 4. Complex I is built from isolated units of the aforementioned composition; every allylthiourea molecule coordinates two metal atoms through the sulfur atom. The distorted tetrahedral surrounding of every Cu(I) atom involves three 8 atoms and one Cl atom. The N,N'- diallyl-S-ethylisotiouronium cation coordinates two copper atoms through the C=C bonds, 1.32(1) and 1.35(1)Angstrom, uniting the cuprohalide chains in layers. The structure of complex II is very close to the structure of the previously studied pi -complex of diallylammonium [H+L]Cu2Cl3.

  DOI：

  10.1023/a:1009535518106