rac,meso-Na[Mn((OC6H4CH(COO)NHCH2)2]*H2O | 442877-71-6

• 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: rac,meso-Na[Mn((OC6H4CH(COO)NHCH2)2]*H2O
• 英文别名: rac-Na{manganese(EHPG)}*3H2O
• CAS: 442877-71-6；442877-65-8
• 化学式: C₁₈H₁₆MnN₂O₆*H₂O*Na
• 分子量: 452.278
• InChiKey: SIOLKTWLCSQPLF-VSBWTOFMSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  manganese(III) triacetate dihydrate 、 rac-N,N'-Ethylenebis<2-(o-hydroxyphenyl)glycine> 在 NaOH 作用下， 以 甲醇 为溶剂， 生成 rac,meso-Na[Mn((OC6H4CH(COO)NHCH2)2]*H2O
  参考文献：
  名称：

  Li, Xinhua; Pecoraro, Vincent L., Inorganic Chemistry, 1989, vol. 28, # 18, p. 3403 - 3410

  摘要：

  DOI：

文献信息

• Stereoisomers of Mn(III) complexes of ethylenebis[(o-hydroxyphenyl)glycine]
  作者：Shailja Bihari、Pamela A Smith、Simon Parsons、Peter J Sadler

  DOI：10.1016/s0020-1693(02)00690-4

  日期：2002.3

  We have prepared the Mn(III) complexes rac-Na[Mn(EHPG)].3H(2)O (1) and rac.meso-Na[Mn(EHPG].H2O (2), where H(4)EHPG is ethylenebis[(o-hydroxyphenyl)glycine], and determined their X-ray crystal structures, Complex 1 contains N(S.S)C(R,R) configurations at the N and C stereogenic centres, whilst in the unit cell of complex 2 there are two independent molecules. 2a (meso) and 2b (rac), with N(R.R)C(S.R) and N(R.R)C(S.S) configurations. respectively. Enantiomers of each complex are also present. The Mn(III) centres have Jahn-Teller-distorted octahedral geometry. The rac isomer has two long axial Mn-O(carboxylate) bonds (2.162-2.202 Angstrom) and the equatorial plane contains two short Mn N bonds (2.012-2.063 Angstrom) trans to short Mn-O(phenolate) bonds (1.865-1.901 Angstrom). The meso isomer has long axial Mn-N (21.194 Angstrom) and Mn-O(carboxylate) (2.152 Angstrom) bonds. and shorter equatorial Mn-N (2.005 Angstrom) trans to Mn-O(phenolate) ( 1.901 Angstrom) and Mn-O(carboxylate) ( 1.988 Angstrom) trans to O(phenolate) (1.897 Angstrom) bonds. (C) 2002 Elsevier Science B.V. All rights reserved.