A Unique Example of a Co-crystal of [Co(AMTTO)2(H2O)2](NO3)2 and [Co(AMTTO)2(CH3CN)2](NO3)2 (AMTTO = 4-amino-5-methyl-1,2,4-triazol-3(2H)-thione)


A co-crystal of cobalt(II) complexes, Co(AMTTO)2(CH3CN)2]2+(NO3)2. [Co(AMTTO)2(H2O)2]2+(NO3)2, compound (1) was isolated from the reaction of Co(NO3)2⋅6H2O and 4-amino-3-mercapto-6-methyl-5-oxo-1,2,4-triazine (AMTTO) in acetonitrile as solvent. Isolated crystals were characterized by elemental analyses, IR spectroscopy as well as X-ray diffraction studies. Crystal data for 1 at 95 K revealed a monoclinic space group P21/n, a = 11.7903(5), b = 12.1279(5), c = 14.1443(6) Å, β = 99.244(4)°, Z = 2, R1 = 0.0339. Compound 1 consists of two co-crystallized Co(II) complexes [Co(AMTTO)2(CH3CN)2]2+ and [Co(AMTTO)2(H2O)2]2+ and four nitrate counter anions In both complexes, cobalt(II) ions are in an octahedral arrangement. Two S, N bidentate AMTTO ligands are coordinated to both Co(II) ions. The coordination sphere of Co1 is completed by two acetonitrile molecules, and these positions are occupied by water molecules for Co2.

Graphic Abstract

A co-crystal of cobalt(II) compound was isolated from the reaction of Co(NO3)2⋅6H2O and 4-amino-3-mercapto-6-methyl-5-oxo-1,2,4-triazine in acetonitrile as solvent.

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The authors are grateful to Yazd Branch, Islamic Azad University for the support of this work. The crystallographic part was supported by the project 18-10438S of the Czech Science

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Correspondence to Masoumeh Tabatabaee.

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Bazyari, P., Tabatabaee, M., Nasirizadeh, N. et al. A Unique Example of a Co-crystal of [Co(AMTTO)2(H2O)2](NO3)2 and [Co(AMTTO)2(CH3CN)2](NO3)2 (AMTTO = 4-amino-5-methyl-1,2,4-triazol-3(2H)-thione). J Chem Crystallogr (2021). https://doi.org/10.1007/s10870-021-00882-5

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  • Co-crystal
  • Heterocyclic thiones
  • Co(ii) complex
  • 1,2,4-Thiotriazine
  • X-ray structure