CoCl2(bi-1,1'-(3,3-dimethyl-3,4-dihydroisoquinoline)) | 1233078-09-5

• 英文名称: CoCl2(bi-1,1'-(3,3-dimethyl-3,4-dihydroisoquinoline))
• CAS: 1233078-09-5
• 化学式: C₂₂H₂₄Cl₂CoN₂
• 分子量: 446.345
• InChiKey: LCWLYVKIPPTMJH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  bis-1,1'-(3,3-dimethyl-3,4-dihydroisoquinoline) 、 cobalt(II) chloride hexahydrate 以 乙腈 为溶剂， 以62%的产率得到CoCl2(bi-1,1'-(3,3-dimethyl-3,4-dihydroisoquinoline))
  参考文献：
  名称：

  Cobalt(II) chloride complex with Bi-1,1′-(3,3-dimethyl-3,4-dihydroisoquinoline): Synthesis, crystal structure, and spectra

  摘要：

  The complex of cobalt(II) chloride with bi-1,1'-(3,3-dimethyl-3,4-dihydroisoquinoline) (L), [CoLCl(2)] (I), is synthesized and studied by X-ray diffraction, electronic spectroscopy, and IR spectroscopy. In the structure of complex I, ligand L performs a bidentate-chelating function, adding to the cobalt atom through the nitrogen atoms. The coordination polyhedron of the cobalt atom is a tetrahedron (2N, 2Cl) with ordinary Co-N (2.00(1)-2.07(1) angstrom) and Co-Cl (2.216(6)-2.226(6) angstrom) bond lengths. The noncentrosymmetric orthorhombic unit cell of crystal I contains two independent molecules of the complex (1 and 1') joined by C-H=Cl hydrogen bonds into a pseudocentrosymmetric dimer. Ligands L(c) and L'(c) exist in the same cisoid isomeric form (torsion angle N(1)-C(1)-C(12)-N(2) is 19.2 degrees in L(c) and 26.6 degrees in L'(c)).

  DOI：

  10.1134/s0036023609070110