diacetatobis(2-aminobenzothiazole-κN)cobalt(II) | 28618-56-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: diacetatobis(2-aminobenzothiazole-κN)cobalt(II)
• 英文别名: Co(CH3CO2)2(2-aminobenzothiazole)2；Co(CH3CO2)2(ABT)2；diacetatobis(2-aminobenzothiazole-kappaN)cobalt(II)；1,3-benzothiazol-2-amine;cobalt(2+);diacetate
• CAS: 28618-56-6
• 化学式: C₁₈H₁₈CoN₄O₄S₂
• 分子量: 477.491
• InChiKey: VLAKUULJNOZLRL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.27
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  215
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-氨基苯并噻唑 、 cobalt(II) acetate 以 乙醇 为溶剂， 以79%的产率得到diacetatobis(2-aminobenzothiazole-κN)cobalt(II)
  参考文献：
  名称：

  Synthesis and structure of complexes of Co(II) acetate and Zn(II) chloride with 2-aminobenzothiazole

  摘要：

  Complexes of Co(II) acetate and Zn(II) chloride with 2-aminobenzothiazole were prepared, and their structures were studied by IR spectroscopy and single crystal X-ray diffraction. The complexes have the composition [Co(CH3COO)(2)(2-aminobenzothiazole)(2)] and [Zncl(2)(2-aminobenzothiazole)(2)]. The coordination core has a distorted tetrahedral configuration. The metal ion coordinates two nitrogen atoms of the thiazole rings and two oxygen atoms of acetate ligands or two chloride ions.

  DOI：

  10.1134/s1070363207100234

文献信息

• Diacetatobis(2-aminobenzothiazole-κ<i>N</i>)cobalt(II)
  作者：Hümeyra Batı、Hanife Saraçoĝlu、Nezihe Çalıs˛kan、Serkan Soylu

  DOI：10.1107/s0108270105016811

  日期：2005.7.15

  The title complex, [Co(C2H3O2)(2)(C7H6N2S)(2)], contains a Co centre with a slightly distorted tetrahedral coordination geometry, involving two acetate ligands and two N atoms from the thiazole moiety [ Co - O = 2.0025 ( 14) and 1.9953 ( 16) angstrom, and Co - N = 2.0524 ( 18) and 2.0568 ( 18) angstrom]. The interplanar angle between the two benzothiazole moieties is 77.86 ( 3) degrees. The amine groups, acting as donors, participate in intra- and intermolecular N - H center dot center dot center dot O hydrogen bonds, with N center dot center dot center dot O distances in the range 2.806 ( 2) - 2.857 ( 2) angstrom.