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3-乙基 5-甲基 2-羟基-6-甲基-4-(4-硝基苯基)-2-三氟甲基-1,2,3,4-四氢吡啶-3,5-二羧酸酯

3-Ethyl 5-methyl 2-hydr-oxy-6-methyl-4-(4-nitro-phen-yl)-2-trifluoro-methyl-1,2,3,4-tetra-hydro-pyridine-3,5-dicarboxyl-ate.

作者信息

Yu Chen-Xia, Qian Pei-Li, Ping Jia-Jing, Yao Chang-Sheng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Aug 9;64(Pt 9):o1737. doi: 10.1107/S1600536808024835.

DOI:10.1107/S1600536808024835
PMID:21201720
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960706/
Abstract

In the title compound, C(18)H(19)F(3)N(2)O(7), the tetrahydropyridine ring adopts a half-chair conformation. The nitro group is disordered over two sites with occupancies of 0.780 (15) and 0.220 (15). An intra-molecular N-H⋯F hydrogen bond is observed in the mol-ecular structure. The mol-ecules are linked into a two-dimensional network parallel to (100) by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds.

摘要

在标题化合物C₁₈H₁₉F₃N₂O₇中，四氢吡啶环呈半椅式构象。硝基在两个位置上无序分布，占有率分别为0.780 (15) 和0.220 (15)。在分子结构中观察到分子内N-H⋯F氢键。分子通过O-H⋯O、N-H⋯O和C-H⋯O氢键连接成平行于(100) 的二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e0fc/2960706/ab88ac4acbeb/e-64-o1737-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e0fc/2960706/0b347af0631f/e-64-o1737-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e0fc/2960706/ab88ac4acbeb/e-64-o1737-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e0fc/2960706/0b347af0631f/e-64-o1737-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e0fc/2960706/ab88ac4acbeb/e-64-o1737-fig2.jpg

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本文引用的文献

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