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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)

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Abstract

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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Acknowledgements

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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Authors and Affiliations

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

    Pariya Bazyari & Masoumeh Tabatabaee

  2. Department of Textile Engineering, Yazd Branch, Islamic Azad University, Yazd, Iran

    Navid Nasirizadeh

  3. Institute of Physics of the Czech Academy of Sciences, Na Slovance 2, 182 21, Praha 8, Czech Republic

    Michal Dušek & Václav Eigner

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  1. Pariya Bazyari
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  2. Masoumeh Tabatabaee
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  3. Navid Nasirizadeh
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  4. Michal Dušek
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  5. Václav Eigner
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Correspondence to Masoumeh Tabatabaee.

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Supplementary Information

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10870_2021_882_MOESM1_ESM.pdf

Supplementary file 1 (PDF 172 KB) CCDC 1958607 contains the supplementary crystallographic data for 1. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html [or from the Cambridge Crystallographic Data Centre (CCDC), 12 Union Road, Cambridge CB2 1EZ, UK; fax: +44(0)1223-336033; email: deposit@ccdc.cam.ac.uk]. Structure factors are available from the authors.

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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 51, 575–581 (2021). https://doi.org/10.1007/s10870-021-00882-5

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