copper(II)Br2[bis(2-benzimidazolyl)propane] | 262356-90-1

• 英文名称: copper(II)Br2[bis(2-benzimidazolyl)propane]
• CAS: 262356-90-1
• 化学式: C₁₇H₁₆Br₂CuN₄
• 分子量: 499.695
• InChiKey: YGSVEBHOFZFKJX-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：

  2,2'-(1,3-propanediyl)bis(1H-benzimidazole) 、 copper(ll) bromide 以 not given 为溶剂， 生成 copper(II)Br2[bis(2-benzimidazolyl)propane]
  参考文献：
  名称：

  Crystal structures, spectroscopy and magnetism of Cu(II) bromide adducts with bis(2-benzimidazolyl)alkanes: influence of alkyl bridge on the degree of distortion from tetrahedral

  摘要：

  The spectroscopic and magnetic measurements of three mononuclear copper(II) bromide compounds with the ligands bis(2-benzimidazolyl)ethane (abbreviated as dbz), bis(2-benzimidazolyl)propane (abbreviated as tbz) and bis(2-benzimidazolyl)butane (abbreviated as qbz) and the general formula [Cu(L)Br-2] (in which L = dbz, tbz or qbz) have been determined, together with the X-ray structure of two of the three compounds. Each compound has a tetrahedrally based CuN2Br2 chromophore with Cu-N distances from 1.976(3) to 1.993(11) Angstrom and Cu-Br distances from 2.356(2) to 2.3982(7) Angstrom. Angles N-Cu-N and Br-Cu-Br vary from 94.44(13) to 105.5(4)degrees and from 97.88(2) to 98.94(8)degrees, respectively. The length of the alkane chain determines the degree of tetragonality and the EPR measurements at 77 K as a frozen solution reveal a d(x2-y2) for the copper compounds with the ligands dbz and qbz and a d(z2) ground state with the copper tbz compound. The dihedral angles are 52.6(3) and 67.8(4)degrees for compounds [CuBr2(dbz)] and [CuBr2(tbz)], respectively. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(99)00450-8