Crystal structure of (3S*,4R*)-4-fluoro-3-(4-meth­oxy­phen­yl)-1-oxo-2-phenyl-1,2,3,4-tetra­hydro­iso­quinoline-4-carb­oxy­lic acid

Acta Crystallographica Section E: Crystallographic Communications

Radacki, K.¹  Braunschweig, H.¹  Lechner, L.²  Lehmann, A.²  Holzgrabe, U.² 

[1] Institute of Inorganic Chemistry, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany;Institute of Pharmacy and Food Chemistry, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany

关键词: CRYSTAL STRUCTURE;    CIS CONFORMATION;    FLUORINATION;    1-OXOTETRAHYDROISOQUINOLINON-4-CARBOXYLIC ACID;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989017007186

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C23H18FNO4, crystallized as a racemate. It exhibits a cis conformation with respect to the F atom and the methine H atom. The piperidine ring has a screw-boat conformation. The meth­oxy­phenyl ring and the phenyl ring are inclined to the mean plane of the iso­quinoline ring system by 89.85 (4) and 46.62 (5)°, respectively, and by 78.15 (5)° to one another. In the crystal, mol­ecules are linked by an O—H⋯O hydrogen bond forming chains propagating along the a-axis direction. The chains are linked by C—H⋯F hydrogen bonds, forming layers lying parallel to the ab plane.

【 授权许可】

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