Cadmiumphthalat | 784124-77-2

• 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: Cadmiumphthalat
• 英文别名: cadmium(II) phthalate；phthalic acid ; cadmium phthalate；Cadmium(II)-phthalat；Phthalsaeure; Cadmiumphthalat；cadmium(2+);phthalate
• CAS: 784124-77-2
• 化学式: C₈H₄O₄*Cd
• 分子量: 276.527
• InChiKey: HOSISMMAWAHRDO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.59
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [Cd₂(3,5-dimethylpyrazole)₆(o-phthalate)₂]*2(3,5-dimethylpyrazole) 生成 Cadmiumphthalat
  参考文献：
  名称：

  Syntheses, characterization and crystal structures of eight Cd(II) carboxylates containing 3,5-dimethylpyrazole

  摘要：

  Eight new complexes, namely [Cd(Hdmpz)2(L1)(2)0.5H(2)O](2) (1) (Hdmpz = 3,5-dimethylpyrazole, Ll = trichloroacetate), [Cd(Hdmpz)(2)(12)(2).H2O (2) (L2 = indole-3-acetate), Cd(Hdmpz)(2)(L3)(2) (3) (L-3 = 4-methylbenzoate), Cd(Hdmpz)(4)(L4)(2) (4) (L4 = 3-methylbenzoate), Cd(Hdmpz)(4)(L5)(2) (5) (L5 = 4-methoxybenzoate), Cd(Hdmpz)2(L6)(2) (6) (L-6 = 2-chloronicotinate), Cd(Hdmpz)(HL7)(2) (7) (HL7 = 2-hydroxy-5-(phenyldiazenyl)benzoate) and [Cd-2(Hdmpz)(6)(L8)(2)](Hdmpz)(2) (8) (L8 = o-phthalate) have been prepared by the self-assembly of Cd ions, 3,5-dimethylpyrazole and carboxylic acids at room temperature. All the complexes were characterized by elemental analysis, IR spectra, TG and single crystal X-ray diffraction analysis. The X-ray studies revealed that these complexes display mononuclear to dinudear structures, with an octahedral geometry around each cadmium ion. The 3,5-dimethylpyrazole ligand in all the compounds is coordinated only in a monodentate fashion by its neutral N group. In 2, 3 and 6, the carboxylate groups behave as chelating bidentate ligands. In 4 and 5, the carboxylate groups act as monodentate ligands. The COO- group in I is coordinated to the Cd centre in both monodentate and bridging bidentate modes. The carboxylates in 7 coordinate to the Cd centre in tridentate chelating bridging and bidentate bridging fashions, simultaneously, while in 8 there exists a tridentate bridging carboxylate ligand. Based on the X-ray crystallographic study, extensive intra- and intermolecular non-covalent interactions, such as classical hydrogen bonds, CH-CI, CH3-Cl, Cl. ...Cl, Cl...O, CH-N, CH3-N, C-H...O, CH3-O, C-H...pi, CH2...pi, CH3-pi and ir-it interactions, are analyzed. These compounds display different structures, such as a OD discrete mononuclear arrangement, sheet, 3D network, and 3D layer network. The thermal stabilities for 1-8 were examined and the results show that the complexes display good thermal stability. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.02.041

文献信息

• Two-dimensional Anhydrous Cadmium(II) Phthalate
  作者：Yun-Zhi Tang、Shao-Song Qian、Xi-Sen Wang、Hong Zhao、Xue-Feng Huang、Yong-Hua Li、Xing-Cai Jiao、Ren-Gen Xiong

  DOI：10.1002/zaac.200400163

  日期：2004.9

  situ-Hydrolyse von Phthalyl-γ-glutaminyl-histidin mit Cd(ClO4)2·6H2O in Gegenwart von Wasser/Methanol ergibt ein neuartiges, zweidimensionales Cadmium-Koordinationspolymer - ein wasserfreis Cadmium(II)-phthalat, (1). Die Struktur wurde durch Einkristall-Rontgenstrukturanalyse bestimmt: Raumgruppe P21/c, a = 13.8168(14), b = 7.0351(7), c = 8.2054(8) A, β = 105.540(2)°, V = 768.43(13) A3, Z = 4, R1 = 0.0380,

  在水和甲醇存在下用 Cd (ClO4) 2 6H2O 原位水解邻苯二甲酰-γ-谷氨酰胺酰组氨酸，得到一种新型二维镉配位聚合物，一种新相，无水邻苯二甲酸镉 (II)，(1) . 通过单晶X射线衍射确定结构。晶体数据：P21/c，a=13.8168（14），b=7.0351（7），c=8.2054（8）A，β=105.540（2）°，V=768.43（13）A3，Z=4，R1 = 0.0380，wR2 = 0.1111。二维无水邻苯二甲酸镉 (II) 在水/甲醇存在下用 Cd (ClO4) 2 6H2O 原位水解邻苯二甲酰-γ-谷氨酰胺酰组氨酸，产生一种新型二维镉配位聚合物 - 无水邻苯二甲酸镉（II），（1）。结构经单晶X射线结构分析确定：空间群P21/c，a=13.8168（14），b=7.0351（7），c=8.2054（8）A，β=105。
• PANKRATOVA V. N.; GOREVA T. F.; KRASNOV YU. N., XIMIYA EHLEMENTOORGAN. SOEDIN. (GORKIJ), 1978, HO 6, 20-22
  作者：PANKRATOVA V. N.、 GOREVA T. F.、 KRASNOV YU. N.

  DOI：——

  日期：——
• Syntheses, characterization and crystal structures of eight Cd(II) carboxylates containing 3,5-dimethylpyrazole
  作者：Shou-Wen Jin、Zhang-Hui Lin、Ying Zhou、Da-Qi Wang、Gu-Qing Chen、Zuo-Yi Ji、Tian-Song Huang

  DOI：10.1016/j.poly.2014.02.041

  日期：2014.5

  Eight new complexes, namely [Cd(Hdmpz)2(L1)(2)0.5H(2)O](2) (1) (Hdmpz = 3,5-dimethylpyrazole, Ll = trichloroacetate), [Cd(Hdmpz)(2)(12)(2).H2O (2) (L2 = indole-3-acetate), Cd(Hdmpz)(2)(L3)(2) (3) (L-3 = 4-methylbenzoate), Cd(Hdmpz)(4)(L4)(2) (4) (L4 = 3-methylbenzoate), Cd(Hdmpz)(4)(L5)(2) (5) (L5 = 4-methoxybenzoate), Cd(Hdmpz)2(L6)(2) (6) (L-6 = 2-chloronicotinate), Cd(Hdmpz)(HL7)(2) (7) (HL7 = 2-hydroxy-5-(phenyldiazenyl)benzoate) and [Cd-2(Hdmpz)(6)(L8)(2)](Hdmpz)(2) (8) (L8 = o-phthalate) have been prepared by the self-assembly of Cd ions, 3,5-dimethylpyrazole and carboxylic acids at room temperature. All the complexes were characterized by elemental analysis, IR spectra, TG and single crystal X-ray diffraction analysis. The X-ray studies revealed that these complexes display mononuclear to dinudear structures, with an octahedral geometry around each cadmium ion. The 3,5-dimethylpyrazole ligand in all the compounds is coordinated only in a monodentate fashion by its neutral N group. In 2, 3 and 6, the carboxylate groups behave as chelating bidentate ligands. In 4 and 5, the carboxylate groups act as monodentate ligands. The COO- group in I is coordinated to the Cd centre in both monodentate and bridging bidentate modes. The carboxylates in 7 coordinate to the Cd centre in tridentate chelating bridging and bidentate bridging fashions, simultaneously, while in 8 there exists a tridentate bridging carboxylate ligand. Based on the X-ray crystallographic study, extensive intra- and intermolecular non-covalent interactions, such as classical hydrogen bonds, CH-CI, CH3-Cl, Cl. ...Cl, Cl...O, CH-N, CH3-N, C-H...O, CH3-O, C-H...pi, CH2...pi, CH3-pi and ir-it interactions, are analyzed. These compounds display different structures, such as a OD discrete mononuclear arrangement, sheet, 3D network, and 3D layer network. The thermal stabilities for 1-8 were examined and the results show that the complexes display good thermal stability. (c) 2014 Elsevier Ltd. All rights reserved.