poly[bis(benzimidazole-N(3))copper(II)-μ-acetylenedicarboxylato-O:O'-μ-aqua] | 215873-52-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: poly[bis(benzimidazole-N(3))copper(II)-μ-acetylenedicarboxylato-O:O'-μ-aqua]
• CAS: 215873-52-2
• 化学式: C₁₈H₁₄CuN₄O₅
• 分子量: 429.879
• InChiKey: QIUWSDWPAQUZQW-UHFFFAOYSA-L

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：

  苯并咪唑 、 copper(II) choride dihydrate 、 丁炔二酸 以 水 、 二甲基亚砜 为溶剂， 生成 poly[bis(benzimidazole-N(3))copper(II)-μ-acetylenedicarboxylato-O:O'-μ-aqua]
  参考文献：
  名称：

  Poly[bis(benzimidazole-N³)copper(II)-μ-acetylenedicarboxylato-O:O'-μ-aqua] and Poly[bis(benzimidazole-N³)copper(II)-μ-aqua-μ-fumarato-O:O']

  摘要：

  The title compounds, poly[bis(benzimidazole-N-3)copper(II)-mu-acetylenedicarboxylato-O:O'-mu-aqua], [Cu(C4O4)(C7H6N2)(2)(H2O)], (I), and poly[bis(benzimidazole-N-3)copper(II)-mu-aqua-mu-fumarato-O:O'], [Cu(C4H2O4)(C7H6N2)(2)(H2O)], (II), have been synthesized and their crystal structures determined by single-crystal X-ray diffraction at room temperature. Structures (I) and (II) are very similar. In both structures, the centrosymmetric Cu atoms are bridged by the dicarboxylic acid ions in a bis-monodentate fashion, forming polymeric chains. The Cu ... Cu intrachain distances are 9.546(1) Angstrom in (I) and 9.276(1) Angstrom in (II). These chains are connected by bridging H2O molecules, which are located on the twofold axes by Cu-H2O bonds of 2.593 (1) Angstrom in (I) and 2.668(1) Angstrom in (II). The Cu ... Cu distances in the -Cu-H2O-Cu- chains are 5.090(1) and 5.199 (1) Angstrom in (I) and (II), respectively. The base of the elongated octahedron of the Cu-II atoms is formed by two short Cu-O and two short Cu-N bonds [Cu-O = 1.970(1) and 1.946(2) Angstrom, and Cu-N = 2.005 (2) and 2.016 (2) Angstrom in (I) and (II), respectively]. The coordination of the carboxylate groups and the hydrogen bonds are discussed. The isostructurality of the title compounds and of their previously investigated homologue, (III), has been analysed.

  DOI：

  10.1107/s0108270198004880