C24H22Cl2CuN2S2, blue | 195623-49-5

• 英文名称: C24H22Cl2CuN2S2, blue
• CAS: 195623-49-5；195738-78-4
• 化学式: C₂₄H₂₂Cl₂CuN₂S₂
• 分子量: 537.036
• InChiKey: NOYRYACUWGXYLS-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  C24H22Cl2CuN2S2, blue 以 二氯甲烷 为溶剂， 以73%的产率得到C₂₄H₂₂Cl₂CuN₂S₂, green
  参考文献：
  名称：

  Preparation of a range of copper complexes of diphenylsulfimide: X-ray crystal structures of [Cu(Ph2SNH)4]Cl2 and [Cu4(μ4-O)(μ-Cl)6(Ph2SNH)4]

  摘要：

  Reaction of Ph2SNH 1 with CuCl2 (molar ratio 2:1) in acetonitrile gives trans-[CuCl2(Ph2SNH)(2)] 2a which may be isolated as blue crystals (square planar form) by crystallisation from hot MeCN or as green needles (pseudo-tetrahedral form) by slow evaporation of a CH2Cl2/petroleum ether solution. In contrast, [CuBr2(Ph2SNH)(2)] 2b, most efficiently prepared by reaction of [Cu(Ph2SNH)(4)]Br-2 with CuBr2, appears to only exist in a dark green, pseudo-tetrahedral form. When 1.5 equivalents of 1 are reacted with CuX2 in air, [Cu-4(mu(4)-O)(mu-X)(6)(Ph2SNH)(4)] (X = Cl 3a or Br 3b) forms as orange crystals. X-ray crystallography reveals 3a to have the expected tetrahedral arrangement of Cu atoms within an oxo-centered Cu4Cl6O core. Four equivalents of 1 react with CuX2 to give purple [Cu(Ph2SNH)(4)]X-2 (X = Cl 4a or Br 4b); the X-ray crystal structure of 4a reveals a square planar structure exhibiting strong hydrogen bonding interactions between the ligands and the counterions. Even in the presence of excess 1, no more than four of the Ligands may be added to a copper centre. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00237-5
• 作为产物：
  描述：

  、 copper dichloride 以 乙腈 为溶剂， 生成 C24H22Cl2CuN2S2, blue
  参考文献：
  名称：

  Preparation of a range of copper complexes of diphenylsulfimide: X-ray crystal structures of [Cu(Ph2SNH)4]Cl2 and [Cu4(μ4-O)(μ-Cl)6(Ph2SNH)4]

  摘要：

  Reaction of Ph2SNH 1 with CuCl2 (molar ratio 2:1) in acetonitrile gives trans-[CuCl2(Ph2SNH)(2)] 2a which may be isolated as blue crystals (square planar form) by crystallisation from hot MeCN or as green needles (pseudo-tetrahedral form) by slow evaporation of a CH2Cl2/petroleum ether solution. In contrast, [CuBr2(Ph2SNH)(2)] 2b, most efficiently prepared by reaction of [Cu(Ph2SNH)(4)]Br-2 with CuBr2, appears to only exist in a dark green, pseudo-tetrahedral form. When 1.5 equivalents of 1 are reacted with CuX2 in air, [Cu-4(mu(4)-O)(mu-X)(6)(Ph2SNH)(4)] (X = Cl 3a or Br 3b) forms as orange crystals. X-ray crystallography reveals 3a to have the expected tetrahedral arrangement of Cu atoms within an oxo-centered Cu4Cl6O core. Four equivalents of 1 react with CuX2 to give purple [Cu(Ph2SNH)(4)]X-2 (X = Cl 4a or Br 4b); the X-ray crystal structure of 4a reveals a square planar structure exhibiting strong hydrogen bonding interactions between the ligands and the counterions. Even in the presence of excess 1, no more than four of the Ligands may be added to a copper centre. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00237-5

文献信息

• Preparation and crystal structures of two forms of trans-[CuCl2{N(H)SPh2}2 ]; an unusual example of square planar/pseudo-tetrahedral isomerism in a neutral copper(II) complex
  作者：Paul F. Kelly、Alexandra M. Z. Slawin、Kevin W. Waring

  DOI：10.1039/a704276k

  日期：——

  At ambient temperatures, in acetonitrile, S,S-diphenylsulfimide reacted with CuCl 2 (molar ratio 2∶1) to give trans-[CuCl 2 N(H)SPh 2 } 2 ]; depending upon the crystallisation technique this can be isolated as either blue (perfect square-planar geometry) or green (pseudo-tetrahedral) crystals which do not interconvert in the solid state.

  在常温下，在乙腈中，S,S-二苯基亚硫酰亚胺与 CuCl 2（摩尔比 2∶1）反应生成反式-[CuCl 2 N(H)SPh 2 } 2 ]；根据结晶技术的不同，可以分离出蓝色（完美的方形平面几何形状）或绿色（假四面体）晶体，这些晶体在固态下不会相互转化。