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2-{[2,8-双-(三氟甲基)喹啉-4-基](羟基)甲基}哌啶-1-羧酸苄酯

Benzyl 2-{[2,8-bis-(trifluoro-meth-yl)quinolin-4-yl](hy-droxy)meth-yl}piperidine-1-carboxyl-ate.

作者信息

de Souza Marcus V N, Gonçalves Raoni S B, Wardell James L, Wardell Solange M S V, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3313-4. doi: 10.1107/S1600536811047738. Epub 2011 Nov 16.

DOI:10.1107/S1600536811047738
PMID:22199814
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238965/
Abstract

The title mol-ecule, C(25)H(22)F(6)N(2)O(3), adopts an open conformation whereby the quinoline and carboxyl-ate ester groups are orientated in opposite directions but to the same side of the piperidine ring so that the mol-ecule has an approximate U-shape. The piperidine ring adopts a distorted boat conformation. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R(2) (2)(14) loops.

摘要

标题分子C(25)H(22)F(6)N(2)O(3)呈开放构象，其中喹啉和羧酸酯基团朝相反方向，但位于哌啶环的同一侧，因此分子呈近似U形。哌啶环呈扭曲的船式构象。在晶体中，由O—H⋯O氢键对连接的反演二聚体形成R(2) (2)(14)环。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9b3/3238965/28afa8158a68/e-67-o3313-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9b3/3238965/8126e94d5206/e-67-o3313-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9b3/3238965/28afa8158a68/e-67-o3313-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9b3/3238965/8126e94d5206/e-67-o3313-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a9b3/3238965/28afa8158a68/e-67-o3313-fig2.jpg

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