Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(2,4-dimethylbenzyl)sulfanyl]pyrimidine-4,6-diamine
Gulrukh SalievaNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 UzbekistanT.S. KholikovNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 UzbekistanR. Ya. OkmanovS. Yunusov Institute of the Chemistry of Plant Substances Academy of Sciences of Uzbekistan Mirzo Ulugbek St 77 Tashkent 100170 UzbekistanA. D. MatchanovInstitute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, M. Ulugbek St, 83, Tashkent, 100125, UzbekistanKhamid U. KhodjaniyazovInstitute of Bioorganic Chemistry, Academy of Sciences of Uzbekistan, M. Ulugbek St, 83, Tashkent, 100125, UzbekistanShakhnoza KadirovaNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 UzbekistanBаtirbаy TоrаmbеtоvNational University of Uzbekistan named after Mirzo Ulugbek 4 University St Tashkent 100174 Uzbekistan
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Аннотация
The title compound, C 13 H 16 N 4 S (DAMP-DMB), was synthesized through the reaction of 2,4-dimethylbenzyl chloride with diaminopyrimidine-thiol. Single-crystal X-ray diffraction analysis confirmed that the compound crystallizes in the monoclinic crystal system, space group P 2 1 / c . The asymmetric unit contains a single molecular entity. Structural examination revealed the presence of a dimeric arrangement consolidated by N—H...N hydrogen-bonding interactions. Additionally, Hirshfeld surface analysis indicated that H...H, N...H, C...H, and S...H contacts account for 98.9% of the total intermolecular interactions to the Hirshfeld surface.
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