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The crystal and molecular structure of 2-S-methylthiouracil

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Abstract

2-S-Methylthiouracil crystallizes in the triclinic space group P \({\bar 1}\) with unit cell dimensions a = 5.508(4), b = 7.175(3), c = 8.522(2) Å, α = 80.83(2), β = 80.43(3), γ = 76.86(3)°, and Z = 2. The molecule exists in the crystal in the lactam form and is essentially planar. The molecular packing consists of molecules linked in centrosymmetric hydrogen-bonded pairs. The effects of methylation and subsequent metallation on the 2-thiouracil structure are discussed.

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Authors and Affiliations

  1. Departamento de Química Inorgánica, Facultade de Farmacia, Universidade de Santiago de Compostela, 15706, Santiago de Compostela, Galicia, Spain

    J.S. Casas, M.S. García-Tasende, A. Sánchez & J. Sordo

  2. Instituto de Física de Sao Carlos, Universidade de Sao Paulo, Caixa Postal 369, CEP 13560, Sao Carlos, SP, Brazil

    E.E. Castellano & J. Zukerman-Schpector

Authors
  1. J.S. Casas
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  2. E.E. Castellano
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  3. M.S. García-Tasende
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  4. A. Sánchez
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  5. J. Sordo
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  6. J. Zukerman-Schpector
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Casas, J., Castellano, E., García-Tasende, M. et al. The crystal and molecular structure of 2-S-methylthiouracil. Journal of Chemical Crystallography 29, 725–727 (1999). https://doi.org/10.1023/A:1009588223827

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  • DOI: https://doi.org/10.1023/A:1009588223827

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