bis(rac-propane-1,2-diamine)dithiocyanatonickel(II) | 15611-29-7

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: bis(rac-propane-1,2-diamine)dithiocyanatonickel(II)
• CAS: 15611-29-7
• 化学式: C₈H₂₀N₆NiS₂
• 分子量: 323.109
• InChiKey: DQVRUEBBLXEBEP-RMYPUYPWSA-N

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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  bis(rac-propane-1,2-diamine)dithiocyanatonickel(II) 、 丙酮 以 甲醇 为溶剂， 以99%的产率得到2SR,8SR,10SR-(5,7,7-trimethyl-4,8-diazaundec-4-ene-2,10-diamine)nickel(II) thiocyanate
  参考文献：
  名称：

  The preparation and structure of 2SR, 8SR, 10SR-(5,7,7-trimethyl-4,8-diazaundec-4-ene-2,10-diamine)nickel(II) thiocyanate

  摘要：

  Reaction of bis(rac-propane-1,2-diamine)dithiocyanatonickel(II) with acetone yields orange, singlet ground state, (5,7,7-trimethyl-4,8-diazaundec-4-ene-2,10-diamine)nickel(II) thiocyanate, [C14H28N4Ni](NCS)(2). This compound has the nickel(II) ion in tetrahedrally twisted square-planar coordination by the four nitrogen atoms of the ligand {Ni - N2 = 1.929(1), Ni-N4 = 1.899(1), Ni-N8 = 1.925(1), and Ni-N10 = 1.917(1) angstrom} with one NCS- sulfur atom located axially {Ni-S = 3.050(4) angstrom} Displacements of the N atoms from the N-4 plane are +/- 0.047(1) angstrom, with Ni 0.011 (1) angstrom from this plane. The asymmetric centres C2, N8 and C10 have the same chirality. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.04.021