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（1S，3S）-6,7-二甲氧基-1-苯基-1,2,3,4-四氢异喹啉-3-羧酸甲酯

(1S,3S)-Methyl 6,7-dimeth-oxy-1-phenyl-1,2,3,4-tetra-hydro-isoquinoline-3-carboxyl-ate.

作者信息

Naicker Tricia, Govender Thavendran, Kruger Hendrik G, Maguire Glenn E M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1501. doi: 10.1107/S1600536811018782. Epub 2011 May 25.

DOI:10.1107/S1600536811018782
PMID:21754868
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120575/
Abstract

In the title compound, C(19)H(21)NO(4), an organocatalyst with a tetra-hydro-isoquinoline backbone, the heterocyclic ring assumes a half-boat conformation. The dihedral angle between the aromatic rings is 82.93 (8)°. In the crystal, mol-ecules are linked via N-H⋯O and C-H⋯O hydrogen bonds, forming a layer parallel to (10[Formula: see text]).

摘要

在标题化合物C₁₉H₂₁NO₄中，一种具有四氢异喹啉骨架的有机催化剂，杂环呈半船式构象。芳环之间的二面角为82.93 (8)°。在晶体中，分子通过N—H⋯O和C—H⋯O氢键相连，形成平行于(10[化学式：见原文])的层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa6/3120575/bf14f8ce3753/e-67-o1501-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa6/3120575/3cb25508ae25/e-67-o1501-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa6/3120575/bf14f8ce3753/e-67-o1501-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa6/3120575/3cb25508ae25/e-67-o1501-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa6/3120575/bf14f8ce3753/e-67-o1501-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1403. doi: 10.1107/S1600536811017430. Epub 2011 May 14.
2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.