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1,3-Sigmatropic Hydrogen Shift in 3-Amino-1H-1,2,4-Triazole During the Complexation of this Ligand with Cobalt (II) Ion, Single Crystal Structure of a New Trinuclear Co(II) 1,2,4-Triazole Complex

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Abstract

[Co3(ATR)6(H2O)6](NO3)6·2H2O (ATR = 3-amino-4H-1,2,4-triazole) was obtained from the reaction of 3-amino-1H-1,2,4-triazole with Co(NO3)2·6H2O. 3-amino-H-1,2,4-triazole was changed to 3-amino-4H-1,2,4-triazole with a 1,3-sigmatropic hydrogen shift during the reaction. The crystal structure of [Co3(ATR)6(H2O)6](NO3)6·2H2O consists of centrosymmetric trinuclear units, cation is located in the center of symmetry coinciding with Co(1) atom position. There are three bridging 3-amino-4H-1,2,4-triazole between the internal and terminal cobalt ions. Crystal data for complex at 100 K: monoclinic, space group P 21/n, a = 13.2308(12) Å, b = 12.2167(10) Å, c = 14.3954(12) Å, β = 113.348(5)°, V = 2136.3(3) Å3, Z = 2, R 1 = 0.0550.

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Masoumeh Tabatabaee*, Mahboubeh A. Sharif, Mitra Ghassemzadeh, Mahmoud Shariyari [Co3(ATR)6(H2O)6](NO3)6·2H2O (ATR = 3-amino-4H-1,2,4-triazole) was obtained from the reaction of 3-amino-1H-1,2,4-triazole with Co(NO3)2·6H2O.

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Authors and Affiliations

  1. Department of Chemistry, Islamic Azad University Yazd Branch, Yazd, Iran

    Masoumeh Tabatabaee & Mahmoud Shahriyari

  2. Department of Chemistry, Islamic Azad University Qom Branch, Qom, Iran

    Mahboubeh A. Sharif

  3. Chemistry & Chemical Engineering Research Center of Iran, Tehran, Iran

    Mitra Ghassemzadeh

Authors
  1. Masoumeh Tabatabaee
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  2. Mahboubeh A. Sharif
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  3. Mitra Ghassemzadeh
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  4. Mahmoud Shahriyari
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Correspondence to Masoumeh Tabatabaee.

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Tabatabaee, M., Sharif, M.A., Ghassemzadeh, M. et al. 1,3-Sigmatropic Hydrogen Shift in 3-Amino-1H-1,2,4-Triazole During the Complexation of this Ligand with Cobalt (II) Ion, Single Crystal Structure of a New Trinuclear Co(II) 1,2,4-Triazole Complex. J Chem Crystallogr 41, 127–131 (2011). https://doi.org/10.1007/s10870-010-9850-3

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  • DOI: https://doi.org/10.1007/s10870-010-9850-3

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