FACILE SYNTHESIS AND CRYSTAL STRUCTURE OF 1,5-DIMETHYL-6-THIOXO-1,3,5-TRIAZINANE-2,4-DIONE
N. Shajari1, A.R. Kazemizadeh1, A. Ramazani1, S.W. Joo2, K. Ељlepokura3, T. Lis3, A. Souldozi4
1Zanjan Branch, Islamic Azad University, Zanjan, Iran
2Yeungnam University, Gyeongsan, Republic of Korea
3University of WrocЕ‚aw, WrocЕ‚aw, Poland
4Urmia Branch, Islamic Azad University, Urmia, Iran
Keywords: N,N'-dimethylthiourea, trichloroacetyl isocyanate, triazinane, X-ray diffraction
Abstract
The title compound 1,5-dimethyl-6-thioxo-1,3,5-triazinane-2,4-dione C<sub>5</sub>H<sub>7</sub>N<sub>3</sub>O<sub>2</sub>S is synthesized via the reaction between N,N'-dimethylthiourea and trichloroacetyl isocyanate in dichloromethane. The structure of the title compound is characterized by IR, <sup>1</sup>HNMR, <sup>13</sup>C NMR, elemental analysis, and single-crystal X-ray diffraction. The crystal structure reveals the role of N-H⋯O and C-H⋯O hydrogen bonds, and C=O⋯π interactions in the arrangement of the molecules into ribbons, which are further joined to each other to form double-layers parallel to the (001) plane.
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