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

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

作者信息

Gonçalves Raoni S B, de Souza Marcus V N, 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):o3315-6. doi: 10.1107/S1600536811047726. Epub 2011 Nov 16.

DOI:10.1107/S1600536811047726
PMID:22199815
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238966/
Abstract

The title mol-ecule, C(22)H(24)F(6)N(2)O(3), adopts a folded conformation whereby the carboxyl-ate residue lies over the quinolinyl residue, with the dihedral angle between the carbamate and quinoline planes being 41.64 (7)°. Helical supra-molecular C(7) chains sustained by O-H⋯O hydrogen bonds propagating along the a-axis direction feature in the crystal packing. The F atoms of one of the CF(3) groups are disordered over two orientations; the major component has a site occupancy of 0.824 (7).

摘要

标题分子C(22)H(24)F(6)N(2)O(3)呈折叠构象，其中羧酸根残基位于喹啉基残基上方，氨基甲酸酯平面与喹啉平面之间的二面角为41.64 (7)°。晶体堆积中存在由O—H⋯O氢键维持的沿a轴方向传播的螺旋超分子C(7)链。其中一个CF(3)基团的F原子在两个取向上无序；主要组分的占有率为0.824 (7)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/994d/3238966/51da67393155/e-67-o3315-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/994d/3238966/ac46a4287545/e-67-o3315-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/994d/3238966/51da67393155/e-67-o3315-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/994d/3238966/ac46a4287545/e-67-o3315-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/994d/3238966/51da67393155/e-67-o3315-fig2.jpg

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