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3-(2-Hy-droxy-eth-yl)-3-methyl-1-(4-methyl-benzo-yl)thio-urea

机译:3-(2- HY-甲氧基-1-(2-甲基-1-(4-甲基 - 苯并-YL)硫脲 - 尿素

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摘要

The title thio-urea derivative, C 12 H 16 N 2 O 2 S, has a twisted conformation with the dihedral angle between the NC(=S)N and O=CC 6 planes being 35.45?(5)°. The observed conformation allows for an intra-molecular N—H?O hydrogen bond. In the mol-ecular packing, supra-molecular aggregation is based on hy-droxy-O—H?O(carbon-yl) hydrogen bonding and leads to supra-molecular helical chains along the a axis; chains are reinforced by N -methyl-ene-C—H?S and N -methyl-C—H? π (arene) inter-actions. Supra-molecular layers in the ab plane are formed as a result of tolyl-methyl-C—H? π (arene) inter-actions.
机译:标题硫脲衍生物C 12 H 16 N 2 O 2 S具有与NC(= S)N和O = CC 6平面之间的二相角的扭曲构象,35.45°(5)°。观察到的构象允许分子内N-H 2 O氢键。在摩尔胚胎包装中,Supra分子聚集基于Hy-Droxy-O-H 2 O(碳-Y1)氢键,并沿轴线引入同上分子螺旋链; N-Methyl-eNE-C-H = S和N-甲基-C-H加固链条链式链式。 π(arene)行动互动。形成AB平面中的Supra分子层是由甲甲基-C-H形成的π(arene)行动互动。

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