Том 56, № 4 UDC 548.737:541.6 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. Joo 2 , K. Ślepokura3, T. Lis 3, A. Souldozi 4 1Research Laboratory of MCRs, Department of Chemistry, Zanjan Branch, Islamic Azad University, Zanjan, Iran 2 E-mail: aliramazani@gmail.com (A. Ramazani) School of Mechanical Engineering, Yeungnam University, Gyeongsan, Republic of Korea 3 E-mail: swjoo@yu.ac.kr (S.W. Joo) 4Faculty of Chemistry, University of Wrocław, Wrocław, Poland Department of Chemistry, Urmia Branch, Islamic Azad University, Urmia, Iran Received October 21, 2013 The title compound 1,5-dimethyl-6-thioxo-1,3,5-triazinane-2,4-dione C5H7N3O2S is synthesized via the reaction between N,N′-dimethylthiourea and trichloroacetyl isocyanate in dichloromethane. <...> The structure of the title compound is characterized by IR, 1HNMR, 13C 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 DOI: 10.15372/JSC20150433 Keywords: N,N′-dimethylthiourea, trichloroacetyl isocyanate, triazinane, X-ray diffraction. <...> Heterocyclic compounds have great importance in the biological and medicinal sciences and thus there are many efforts for the development of new efficient and mild synthetic routes for their synthesis [ 1, 2 ]. <...> They also have application in protection of amino groups [ 7 ] as well as for the synthesis of polyamines [ 8 ] and polyfunctional amino alcohols [ 7 ]. <...> Compound (3) was synthesized long ago [ 14 ], however in the Cambridge structural database there are no data on the structure of neutral 6-thioxo1,3,5-triazinane-2,4-dione derivatives [ 14 ]. <...> Starting materials and solvents were obtained from Merck (Germany) and Fluka (Switzerland) and were used without further purification. <...> Melting points were measured on an electrothermal 9100 apparatus and were uncorrected. <...> IR spectra were measured on a Jasco FT-IR 6300 spectrometer. 1H and 13C NMR spectra were measured (CDCl3 solution) with a BRUKER DRX-250 AVANCE spectrometer at 250.0 MHz and 62.5 MHz respectively. <...> Elemental analyses were performed using a Heraeus CHN-O-rapid analyzer. © Shajari N., Kazemizadeh A.R., Ramazani A. <...>