Okmanov Rasul Ya, Ziyaev Abdukhakim A, Abdukarimov Azimboy Sh, Toshmurodov Turdibek T, Kholikov Tursunali S
S. Yunusov Institute of the Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek Str. 77, Tashkent, 100170, Uzbekistan.
National University of Uzbekistan named after Mirzo Ulugbek, University Str. 4, Tashkent, 100174, Uzbekistan.
Acta Crystallogr E Crystallogr Commun. 2023 May 19;79(Pt 6):552-556. doi: 10.1107/S2056989023004164. eCollection 2023 May 1.
The title compounds were synthesized by alkyl-ation of 5-[(4-di-methyl-amino)-phen-yl]-1,3,4-oxa-diazole-2-thiol with benzyl chloride or 2-chloro-6-fluoro-benzyl chloride in the presence of potassium carbonate. The yields of 2-(benzyl-sulfan-yl)-5-[4-(di-methyl-amino)-phen-yl]-1,3,4-oxa-diazole, CHNOS (I), and 2-[(2-chloro-6-fluoro-benz-yl)sulfan-yl]-5-[4-(di-methyl-amino)-phen-yl]-1,3,4-oxa-diazole, CHClFNOS (II), were 96 and 92%, respectively. In the crystal structures of (I) and (II), C-H⋯π inter-actions are observed between neighboring mol-ecules. Hirshfeld surface analysis indicates that H⋯H and H⋯C/C⋯H inter-actions make the most important contributions to the crystal packing.
通过在碳酸钾存在下，使5-[(4-二甲基氨基)苯基]-1,3,4-恶二唑-2-硫醇与苄基氯或2-氯-6-氟苄基氯进行烷基化反应，合成了标题化合物。2-(苄基硫烷基)-5-[4-(二甲基氨基)苯基]-1,3,4-恶二唑（CHNOS，I）和2-[(2-氯-6-氟苄基)硫烷基]-5-[4-(二甲基氨基)苯基]-1,3,4-恶二唑（CHClFNOS，II）的产率分别为96%和92%。在（I）和（II）的晶体结构中，相邻分子之间观察到C-H⋯π相互作用。 Hirshfeld表面分析表明，H⋯H和H⋯C/C⋯H相互作用对晶体堆积起最重要的作用。
