dibromotetrakis(ethylenethiourea)dicopper(I) | 99491-71-1

• 英文名称: dibromotetrakis(ethylenethiourea)dicopper(I)
• 英文别名: [Br2Cu2(etu)4]；(Cu2(μ-SC3H6N2)2(η1-SC3H6N2)2Br2)
• CAS: 99491-71-1；85267-24-9
• 化学式: C₁₂H₂₄Br₂Cu₂N₈S₄
• 分子量: 695.54
• InChiKey: ALQSEEXAJABXTL-UHFFFAOYSA-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：

  亚乙基硫脲 、 copper(I) bromide 以 水 为溶剂， 以53%的产率得到dibromotetrakis(ethylenethiourea)dicopper(I)
  参考文献：
  名称：

  硫脲铜（I）配合物的晶体结构和振动光谱

  摘要：

  使用铜（I）原料或铜（II）化合物和原位亚硫酸盐还原剂的几种合成策略已用于系统地研究具有硫脲和取代的硫脲配体的铜（I）配合物的化学性质。这导致发现了几种新的配合物和方法，用于大量合成的一些先前报道的不定数量的配合物。新的络合物为（tu =硫脲，dmtu = N，N'-二甲基硫脲，etu =乙烯硫脲）：[I 4 Cu 4（tu）6 ]·H 2 O，[Cu 4（tu）10 ]（NO 3） ·tu·3H 2 O，[BrCu（dmtu）3 ]，[ICu（dmtu）3 ] 2，[BrCu（etu）2 ] 2，[ICu（etu）2 ]，[ICu（etu）2 ] 3。[I 4 Cu 4（tu）6 ]·H 2 O具有金刚烷类结构，具有四个末端碘化物配体和六个双桥tu配体。与此相反，[Cu 4（tu）10 ]（NO 3）·tu·3H 2 O包含四核簇，其中四个tu配体为末端，另外六个为双桥。[BrCu（dm

  DOI：

  10.1021/ic801310r

文献信息

• Synthesis of 1D {Cu₆(μ₃-SC₃H₆N₂)₄(μ-SC₃H₆N₂)₂(μ-I)₂I₄}<i>_n</i> and 3D {Cu₂(μ-SC₃H₆N₂)₂(μ-SCN)₂}<i>_n</i> Polymers with 1,3-Imidazolidine-2-thione: Bond Isomerism in Polymers
  作者：Tarlok S. Lobana、Renu Sharma、Geeta Hundal、R. J. Butcher

  DOI：10.1021/ic061115s

  日期：2006.11.1

  The reaction of copper( I) iodide with 1, 3-imidazolidine-2-thione (SC3H6N2) in a 1: 2 molar ratio (M/L) has formed unusual 1D polymers, Cu-6(mu(3)-SC3H6N2)(4)(mu-SC3H6N2)(2)(mu-I)(2)I-4}(n) (1) and Cu6(mu 3-SC3H6N2)(2)(mu-SC3H6N2)(4)(mu-I)(4)I-2}(n) (1a). A similar reaction with copper(I) bromide has formed a polymer Cu-6(mu(3)-SC3H6N2)(2)(mu-SC3H6N2)(4)(mu-Br)(4)Br-2}(n) (3a), similar to 1a, along with a dimer, Cu-2(mu-SC3H6N2)(2)(eta(1)-SC3H6N2)(2)Br-2} (3). Copper(I) chloride behaved differently, and only an unsymmetrical dimer, Cu-2(mu-SC3H6N2)(eta 1-SC3H6N2)(3)Cl-2} (4), was formed. Finally, reactions of copper(I) thiocyanate in 1:1 or 1:2 molar ratios yielded a 3D polymer, Cu-2(mu-SC3H6N2)(2)(mu-SCN)(2)}(n) (2). Crystal data: 1, C9H18Cu3I3N6S3, triclinic, P (1) over bar, a = 9.6646(11) angstrom, b = 10.5520(13) angstrom, c = 12.6177(15) angstrom, alpha = 107.239(2)degrees, beta = 99.844(2)degrees, gamma = 113.682(2)degrees, V = 1061.8(2) angstrom(3), Z = 2, R = 0.0333; 2, C4H6CuN3S2, monoclinic, P2(1)/c, a = 7.864(3) angstrom, b) 14.328(6) angstrom, c = 6.737(2) angstrom, beta = 100.07(3)degrees, V = 747.4(5), Z = 4, R = 0.0363; 3, C12H24Br2Cu2N8S4, monoclinic, C2/c, a = 19.420(7) angstrom, b = 7.686(3) angstrom, c = 16.706(6) angstrom, beta = 115.844(6), V = 2244.1(14) angstrom(3), Z = 4, R = 0.0228; 4, C12H24Cl2Cu2N8S4, monoclinic, P2(1)/c, a = 7.4500(6) angstrom, b = 18.4965(15) angstrom, c = 16.2131 (14) angstrom, beta = 95.036(2)degrees, V = 2225.5(3) angstrom(3), Z = 4, R = 0.0392. The 3D polymer 2 exhibits 20-membered metallacyclic rings in its structure, while synthesis of linear polymers, 1 and 1a, represents an unusual example of I (1a)-S (1) bond isomerism.