(1,3-xylylenediammonium)aquatrichlorocuprate(II) chloridehydrate | 351900-47-5

• 英文名称: (1,3-xylylenediammonium)aquatrichlorocuprate(II) chloridehydrate
• CAS: 351900-47-5
• 化学式: C₈H₁₄N₂*Cl*Cl₃CuH₂O*H₂O
• 分子量: 379.601
• InChiKey: SWHMPSRBSCIPRK-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

• 作为产物：
  描述：

  间苯二甲胺 、 copper(II) choride dihydrate 以 盐酸 为溶剂， 生成 (1,3-xylylenediammonium)aquatrichlorocuprate(II) chloridehydrate
  参考文献：
  名称：

  Crystal structure and magnetic properties of [C6H4(CH2NH3)2][CuCl3(H2O)]Cl·H2O

  摘要：

  The preparation, crystal structure and magnetic properties of the title compound. (1,3-xylylenediammonium)auqatrichlorocuprate(II) chloride hydrate, have been determined. It is monoclinic, space group P2(1)/c, with a=12.711(2), b = 6.122(1), c = 19.175(5) Angstrom and beta = 96.72(2)degrees with V = 1481.6(5) Angstrom for Z = 4. The structure contains several architectural features of significance. The compound contains planar CuCl3(H2O)(-) anions with Cu-Cl distances ranging from 2.2590(8) to 2.3239(6) Angstrom and a Cu-O distance of 1.991(2) Angstrom. The anions form stacks through the formation of long (3.06 Angstrom, average) semi-coordinate Cu . . . Cl bonds. Hydrogen bonding involving the coordinated and lattice water molecules ties the stacks together into two-dimensional arrays. The diammonium cations form organic layers interleaved between the inorganic arrays. The cations are anchored to the inorganic arrays by an efficient -NH3. . . Cl hydrogen-bonding network. Magnetic measurements indicate that weak antiferromagnetic interactions (2J/k = - 3.06 K) exist in the system, which is attributed to exchange coupling mediated by the semi-coordinate Cu CI bonds. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00392-9