[Ni(Bnida)(H2O)3]*H2O | 1341233-22-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Ni(Bnida)(H2O)3]*H2O
• 英文别名: 2-[benzyl(carboxylatomethyl)amino]acetate;nickel(2+);tetrahydrate
• CAS: 1341233-22-4
• 化学式: C₁₁H₁₇NNiO₇*H₂O
• 分子量: 351.964
• InChiKey: QUUCVDKNBVFHNE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.31
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  87.5
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  nickel(II) chloride hexahydrate 、 N-苄基亚胺二乙酸 在 potassium hydroxide 作用下， 以 水 为溶剂， 以74%的产率得到[Ni(Bnida)(H2O)3]*H2O
  参考文献：
  名称：

  Nickel(II) complexes with N-aralkyliminodiacetic acids: Preparation, spectroscopic, structural and thermal characterization

  摘要：

  The reactions of N-aralkyl derivatives of iminodiacetic acid (H(2)Bnida, H(2)Peida, H(2)Ppida, o-H(2)Cbida, Bn = benzyl, Pe = 2-phenylethyl, Pp = 3-phenylprop-1-yl, o-Cb = o-chlorobenzyl) with nickel(II) chloride hexahydrate or nickel(II) acetate tetrahydrate in aqueous solutions were studied. Five new nickel(II) complexes [Ni(Bnida)(H2O)(3)]center dot H2O (1), [Ni(Peida)(H2O)(3)] (2), [Ni(Ppida)(H2O)(3)]center dot H2O (3a), [Ni(Ppida)(H2O)(3)] (3b) and [ Ni(o-Cbida)(H2O)(3)] (4) were prepared and characterized by infrared spectroscopy and thermal analysis (TGA-DTA). The crystal structures of 1 and 3b were determined by single-crystal X-ray structural analysis. The octahedral coordination environment around the nickel(II) ion in 1 and 3b consists of an O,N,O'-tridentate N-aralkyliminodiacetate ion and three water molecules arranged in a fac-position. The molecules in the crystal structures of 1 and 3b are connected into a complicated hydrogen-bonded 2D network, dominated by the O-H center dot center dot center dot O hydrogen bonds. These 2D networks are in turn assembled into a 3D architecture only by weak van der Waals interactions. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.02.017