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-[2-(3,4-二甲氧基苯基)-2-(苯硫基)乙基]-2-(2-氟苯基)乙酰胺

-[2-(3,4-Di-meth-oxy-phen-yl)-2-(phenyl-sulfan-yl)eth-yl]-2-(2-fluoro-phen-yl)acetamide.

作者信息

Ovalle Marco A, Romero José A, Aguirre Gerardo

机构信息

Tecnológico Nacional de México/Instituto Tecnológico de Tijuana, Centro de Graduados e Investigación en Química. Apartado Postal 1166, Tijuana, B.C., Mexico.

出版信息

IUCrdata. 2021 Jan 5;6(Pt 1):x201663. doi: 10.1107/S2414314620016636. eCollection 2021 Jan.

DOI:10.1107/S2414314620016636
PMID:36340467
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9462268/
Abstract

The title compound, CHFNOS, is an inter-mediate in the synthesis of fluorine containing iso-quinoline alkaloids, which crystallizes in the triclinic space group with one mol-ecule in the asymmetric unit. The structure presents a racemic mixture of enanti-omers. The C-S-C-C torsion angle between the benzene ring system and the sulfonyl benzene ring is -178.5 (1)°. In the crystal, N-H⋯O hydrogen bonds between neighbouring mol-ecules form chains of mol-ecules along the -axis direction.

摘要

标题化合物CHFNOS是含氟异喹啉生物碱合成中的一种中间体，它在三斜晶系空间群中结晶，不对称单元中有一个分子。该结构呈现出对映体的外消旋混合物。苯环系统与磺酰苯环之间的C-S-C-C扭转角为-178.5 (1)°。在晶体中，相邻分子之间的N-H⋯O氢键沿轴方向形成分子链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9460/9462268/3939e2dd0b1b/x-06-x201663-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9460/9462268/c9ffc32cc6e5/x-06-x201663-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9460/9462268/ddbff848dfbd/x-06-x201663-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9460/9462268/3939e2dd0b1b/x-06-x201663-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9460/9462268/c9ffc32cc6e5/x-06-x201663-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9460/9462268/ddbff848dfbd/x-06-x201663-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9460/9462268/3939e2dd0b1b/x-06-x201663-fig3.jpg

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