[Zn(terephthalic acid(-2H))((N-methyl-2-pyrrolidone))]n | 1444309-58-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: [Zn(terephthalic acid(-2H))((N-methyl-2-pyrrolidone))]n
• 英文别名: [Zn(terephthalic acid(-2H))((N-methyl-2-pyrrolidone))]_n；[Zn(1,4-benzenedicarboxylate)(N-methyl-2-pyrrolidone)]
• CAS: 1444309-58-3
• 化学式: C₅H₉NO*C₈H₄O₄*Zn
• 分子量: 328.64
• InChiKey: XTYVLQNSCDXGKX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.35
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  100.57
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  N-甲基吡咯烷酮 、 zinc(II) nitrate hexahydrate 、 对苯二甲酸 反应 100.0h， 以59%的产率得到[Zn(terephthalic acid(-2H))((N-methyl-2-pyrrolidone))]n
  参考文献：
  名称：

  Influential factors on assembly of first-row transition metal coordination polymers

  摘要：

  Herein, twenty-seven coordination polymers were synthesised using Mn2+, Co2+, Ni2+, Cu2+ and Zn2+ in organic solvents. Structural analyses show that metal ions are the most important factor that influences coordination polymer assembly. Metal ions determine the type of metal centre and structural topology. The organic ligand benzene dicarboxylic acid is the second most influential factor. Synthetic conditions are not key factors in this research system. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.03.042

文献信息

• Synthesis of a Chiral Crystal Form of MOF-5, CMOF-5, by Chiral Induction
  作者：Shi-Yuan Zhang、Dan Li、Dong Guo、Hui Zhang、Wei Shi、Peng Cheng、Lukasz Wojtas、Michael J. Zaworotko

  DOI：10.1021/jacs.5b11150

  日期：2015.12.16

  Chiral variants of the prototypal metal organic framework MOF-5, A-CMOF-5 and Delta-CMOF-5, have been synthesized by preparing MOF-5 in the presence of L-proline or D-proline, respectively. CMOF-5 crystallizes in chiral space group P2(1)3 instead of Fm (3) over barm as exhibited by MOP-S. The phase purity of CMOF-5 was validated by single-crystal and powder X-ray diffraction, infrared spectroscopy, thermogravimetric analysis, N-2 adsorption, microanalysis, and solid-state vibrational circular dichroism. CMOF-5 undergoes a reversible single crystal-to-single crystal phase change to MOP-5 when immersed in a variety of organic solvents, although N-methyl-2-pyrrolidone (NMP) does not induce loss of chirality. Indeed, MOF-5 undergoes chiral induction when immersed in NMP, affording racemic CMOF-5.