Syntheses,Characterizations and Crystal Structures of (E)-2-Methyl-1,3-diphenylisothiouronium Iodide

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Two thiouronium iodide salts,(E)-2-methyl-1,3-diphenylisothiouronium iodide(1) and 1,3-dibenzyl-2-methylisothiouronium iodide(2),were synthesized and characterized by single-crystal X-ray diffraction,1H NMR,IR,UV-vis and luminescence spectra.Single-crystal X-ray diffraction reveals that compound 1 crystallizes in monoclinic system,P21/n space group with a = 11.273(2),b = 10.318(2),c = 12.962(3) ?,β = 99.03(3)°,V = 1489.0(5) ?3 and Z = 4;compound 2 crystallizes in monoclinic system,C2/c space group with a = 11.706(2),b = 14.119(3),c = 20.930(4) ?,β = 103.84(3)°,V = 3358.8(12) ?3 and Z = 8.The thiouroniums of both compounds are Y-shaped planar structures to form a cross-conjugated system.The averaged bond lengths of C-N and C-S indicate the presence of “Y” aromaticity.The researches on UV-vis and luminescence spectra of compounds 1 and 2 indicate that they can form inclusion complex with β-CD in the aqueous solution. Two thiouronium iodide salts, (E) -2-methyl-1,3-diphenylisothiouronium iodide (1) and 1,3-dibenzyl-2-methylisothiouronium iodide (2) were synthesized and characterized by single- 1H NMR, IR, UV-vis and luminescence spectra. Single-crystal X-ray diffraction reveals that compound 1 crystallizes in monoclinic system, P21 / n space group with a = 11.273 (2), b = 10.318 (2), c = 12.962 (3)?,? = 99.03 (3) °, V = 1489.0 (5)? ​​3 and Z = 4; compound 2 crystallizes in monoclinic system, C2 / c space group with a = 11.706 (2), b = (3), c = 20.930 (4)?,? = 103.84 (3) °, V = 3358.8 (12)? 3 and Z = 8. The thiouroniums of both compounds are Y-shaped planar structures to form a cross-conjugated system. The averaged bond lengths of CN and CS indicate the presence of “Y” around the researches on UV-vis and luminescence spectra of compounds 1 and 2 indicate that they can form inclusion complex with β-CD in the aqueous solution .
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