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Crystal structure of (3S*,4R*)-4-fluoro-3-(4-meth-oxy-phen-yl)-1-oxo-2-phenyl-1,2,3,4-tetra-hydro-iso-quinoline-4-carb-oxy-lic acid.

ABSTRACT: 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 meth-oxy-phenyl ring and the phenyl ring are inclined to the mean plane of the iso-quinoline ring system by 89.85 (4) and 46.62 (5)°, respectively, and by 78.15 (5)° to one another. In the crystal, mol-ecules 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.

SUBMITTER: Lehmann A 

PROVIDER: S-EPMC5458312 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of (3<i>S</i>*,4<i>R</i>*)-4-fluoro-3-(4-meth-oxy-phen-yl)-1-oxo-2-phenyl-1,2,3,4-tetra-hydro-iso-quinoline-4-carb-oxy-lic acid.

Lehmann Anna A   Lechner Lisa L   Radacki Krzysztof K   Braunschweig Holger H   Holzgrabe Ulrike U  

Acta crystallographica. Section E, Crystallographic communications 20170523 Pt 6

The title compound, C<sub>23</sub>H<sub>18</sub>FNO<sub>4</sub>, crystallized as a racemate. It exhibits a <i>cis</i> conformation with respect to the F atom and the methine H atom. The piperidine ring has a screw-boat conformation. The meth-oxy-phenyl ring and the phenyl ring are inclined to the mean plane of the iso-quinoline ring system by 89.85 (4) and 46.62 (5)°, respectively, and by 78.15 (5)° to one another. In the crystal, mol-ecules are linked by an O-H⋯O hydrogen bond forming chains pr  ...[more]