bromo(bis(N,N-dimethylthiocarbamoyl) sulfide)copper(I) | 186099-23-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫基化合物
• 英文名称: bromo(bis(N,N-dimethylthiocarbamoyl) sulfide)copper(I)
• 英文别名: bromocopper;dimethylcarbamothioyl N,N-dimethylcarbamodithioate
• CAS: 186099-23-0
• 化学式: C₆H₁₂BrCuN₂S₃
• 分子量: 351.823
• InChiKey: JFRNXSLZCQAWJU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  一硫化四甲基秋兰姆 、 copper(I) bromide 以 not given 为溶剂， 生成 bromo(bis(N,N-dimethylthiocarbamoyl) sulfide)copper(I)
  参考文献：
  名称：

  Reaction of Bis(N,N-dimethylthiocarbamoyl) Sulfide with Copper(II) Halides and the Crystal and Molecular Structures of Halogeno(bis(N,N-dimethylthiocarbamoyl) sulfido)copper(I) Complexes

  摘要：

  Bis(N,N-dimethylthiocarbamoyl) sulfide (Tetramethylthiuram monosulfide) reacts with copper(II) halides (halide=Cl and Br) to yield 3,5-bis(N,N-dialkyliminio)-1,2,4-trithiolane trihalocuprate(I) and the neutral halogeno(bis(N,N-dimethylthiocarbamoyl) sulfido)copper(I) complex. The proposed structure for the trihalocuprate(I) compounds is supported mostly by infrared studies. The copper(I) adducts may also be prepared by straightforward reaction of copper(I) halides and the ligand, and single-crystal x-ray studies show a wide diversity of structural variations. All molecules consist of basic S(2)CuX units. The Cl derivative (1) is an S-bridged dimer (C6H14ClCuN2OS3, monoclinic, P2(1)/c (No. 14), Z=4, a=9.525(8) Angstrom, b=13.022(10) Angstrom, c=10.835(7) Angstrom), while the Br analogue (2) features a polymeric network of S2CuBr units, also bridged by S atoms (C6H12BrCuN2S3, orthorhombic, P2(1)2(1)2(1) (No.19), Z=4, a=7.043(2) Angstrom, b=9.442(3) Angstrom, c=17.889(4) Angstrom). The iodo compound (3) exists as a halogen-bridged dimer (C6H12CuIN2S3, monoclinic, P2(1)/m (No. 11), Z=4, a=9.570(1) Angstrom, b= 10.578(1) Angstrom, c=12.422(1) Angstrom). The molecular structures found support the assignment of the IR and Raman spectral data in all three cases. The diversity of structural variations is attributed to the relative basicity of the S and halogen potential bridging atoms. Molecular weight studies in acetonitrile are consistent with a monomer for 2, while the temperature dependence of the H-1-NMR for 1 is interpreted in terms of a monomer-dimer equilibrium.

  DOI：

  10.1021/ic960625r

文献信息

• The reaction of copper(II) halides and tetraalkylthiuram monosulphides
  作者：Luis I. Victoriano、Ximena A. Wolf、Hernán Cortés

  DOI：10.1016/0277-5387(94)00501-5

  日期：1995.8

  Abstract Tetraalkylthiuram monosulphides reacted with copper(II) chloride and bromide to yield 3,5-bis( N,N -dialkylimonium)-1,2,4-trithiolane trihalocuprate(I) and a neutral halogenobis-( N,N -dialkylthiocarbamoyl)sulphidocopper(l). The products were characterized by elemental analyses, IR spectroscopy and magnetic susceptibility measurements.

  摘要四烷基秋兰姆单硫化物与氯化铜（II）和溴化物反应生成3,5-双（N，N-二烷基亚铵）-1,2,4-三硫杂环戊酸酯三卤代戊酸酯（I）和中性卤代双-（N，N-二烷基硫代氨基甲酰基）磺基铜（l）。产品通过元素分析，红外光谱和磁化率测量进行表征。