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Novel Route for Synthesis of (S)-l-Benzyl-6-oxopiperidine-2-carboxylic Acid and its Crystal Structure

机译:(S)-1-苄基-6-氧哌啶-2-羧酸的合成新路线及其晶体结构

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摘要

A piperidine carboxylic acid was synthesized and the structure of compound was confirmed by spectral methods and the X-ray diffraction experiment was employed to investigate the crystal structure of (5)-1-benzyl-6-oxopiperidine-2-carboxylic acid. In the crystal structure of the title compound 5, C_(13)H_(15)NO3, one molecule creates independent part of the unit cell. The compound crystallizes in the orthorhombic space group P2,2,2,with a = 8.1384(3), b = 10.5953(3), c = 14.1104(3) A and a = β = y = 90°. The piperidine ring exhibits a chair conformation. The mean plane of the piperidine ring makes a dihedral angle of 61.10(9)° with the planar benzyl ring. The crystal structure packing of the compound is controlled by strong intermolecular O-H-O hydrogen bonds and weak C-H--0 intramolecular interactions.
机译:合成了哌啶羧酸,通过光谱法确认了化合物的结构,并通过X射线衍射实验研究了(5)-1-苄基-6-氧哌啶-2-羧酸的晶体结构。在标题化合物5的晶体结构C_(13)H_(15)NO3中,一个分子形成了晶胞的独立部分。该化合物在正交空间群P2、2、2中结晶,其a = 8.1384(3),b = 10.5953(3),c = 14.1104(3)A和a =β= y = 90°。哌啶环表现出椅子构象。哌啶环的平均平面与平面苄基环的二面角为61.10(9)°。该化合物的晶体结构堆积由强分子间O-H-O氢键和弱C-H--0分子内相互作用控制。

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