Acta Crystallographica Section E: Crystallographic Communications (Jun 2017)

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

  • Anna Lehmann,
  • Lisa Lechner,
  • Krzysztof Radacki,
  • Holger Braunschweig,
  • Ulrike Holzgrabe

DOI
https://doi.org/10.1107/S2056989017007186
Journal volume & issue
Vol. 73, no. 6
pp. 867 – 870

Abstract

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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.

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