Dhaene Evert, Van Driessche Isabel, De Buysser Klaartje, Van Hecke Kristof
SCRiPTS group, Sol-gel Centre for Research on Inorganic Powders and Thin films Synthesis, Department of Chemistry, Ghent University, Krijgslaan 281-S3, B-9000 Ghent, Belgium.
XStruct, Department of Chemistry, Ghent University, Krijgslaan 281-S3, B-9000 Ghent, Belgium.
Acta Crystallogr E Crystallogr Commun. 2022 Jan 14;78(Pt 2):184-190. doi: 10.1107/S2056989022000147. eCollection 2022 Jan 1.
The synthesis and single-crystal X-ray structures of three ,,'-tris-ubstituted thio-ureas are reported, namely ,,'-tri-benzyl-thio-urea, CHNS (), -methyl-,'-di-phenyl-thio-urea, CHNS (), and ,-di--butyl-'-phenylthio-urea, CHNS (). The influence of the different substituents on the thio-ureas is clear from the delocalization of the thio-urea C-N and C=S bonds, while the crystal structures show infinite chains of ,,'-tri-benzyl-thio-urea (), hydrogen-bonded pairs of -methyl-,'-di-phenyl-thio-urea () and hexa-mer ring assemblies of ,-di--butyl-'-phenylthio-urea () mol-ecules. The above-mentioned compounds were synthesized a mild, general procedure, readily accessible precursors and with a high yield, providing straightforward access to a whole library of thio-ureas.
报道了三种α,α',α''-三取代硫脲的合成及单晶X射线结构,即α,α',α''-三苄基硫脲,C₁₉H₂₂N₂S(1)、α-甲基-α',α''-二苯基硫脲,C₁₄H₁₅N₂S(2)和α,α'-二仲丁基-α''-苯基硫脲,C₁₅H₂₄N₂S(3)。硫脲C-N和C=S键的离域清楚地表明了不同取代基对硫脲的影响,而晶体结构显示α,α',α''-三苄基硫脲(1)形成无限链、α-甲基-α',α''-二苯基硫脲(2)形成氢键对以及α,α'-二仲丁基-α''-苯基硫脲(3)分子形成六聚环组装体。上述化合物通过温和的通用方法、易于获得的前体且以高产率合成,为整个硫脲库提供了直接的合成途径。