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Synthesis,Characterization and Crystal Structure Studies of 1-(4-Chloro-benzenesulfonyl)-piperidin-4-yl-diphenyl-methanol

机译:1-(4-氯苯磺酰基)-哌啶-4-基-二苯基-甲醇的合成,表征和晶体结构研究

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摘要

1-(4-Chloro-benzenesulfonyl)-piperidin-4-yl-diphenyl-methanol was synthesized by the condensation of [piperidin-4-yl]-diphenyl-methanol with p-chlorobenzene sulfonylchloride in methylene dichloride as solvent and triethylamine as the base.The compound obtained was characterized by spectroscopic techniques and confirmed by X-ray crystallographic studies.The crystallographic data analysis reveals that the title compound crystallizes in the monoclinic space group P2_1/c with cell parameters a = 10.214(9)A,6= 11.371(5)A,c = 20.939(16)A,beta = 115.399(2)°,V= 2197(3)A~3 for Z = 4.The structure has been solved by direct methods and refined to R_1 = 0.0560 for 3658 observed reflections with I > 2 sigma(I).The piperidine ring is in a chair conformation.The geometry around the S atom is distorted from regular tetrahedron.
机译:通过将[哌啶-4-基]-二苯基甲醇与对氯苯磺酰氯在二氯甲烷中作为溶剂,以三乙胺为缩合物,合成1-(4-氯-苯磺酰基)-哌啶-4-基-二苯基甲醇。所获得的化合物通过光谱技术表征并通过X射线晶体学研究证实。晶体学数据分析表明标题化合物在单斜空间群P2_1 / c中结晶,细胞参数a = 10.214(9)A,6 = Z = 4时,11.371(5)A,c = 20.939(16)A,beta = 115.399(2)°,V = 2197(3)A〜3结构已通过直接方法求解并精炼为R_1 = 0.0560对于3658观察到的I> 2 sigma(I)的反射,哌啶环呈椅子构型,S原子周围的几何形状从规则四面体变形。

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