Title of article :
Crystal structure of (3S*,4R*)-4-fluoro-3-(4-methoxyphenyl)-1-oxo-2-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylic acid
Author/Authors :
Lehmann, Anna Institute of Pharmacy and Food Chemistry - University of Wuerzburg, Germany , Lechner, Lisa Institute of Pharmacy and Food Chemistry - University of Wuerzburg, Germany , Radacki, Krzysztof Institute of Inorganic Chemistry - University of Wuerzburg, Germany , Braunschweig, Holger Institute of Inorganic Chemistry - University of Wuerzburg, Germany , Holzgrabe, Ulrike Institute of Pharmacy and Food Chemistry - University of Wuerzburg, Germany
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 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.
Keywords :
crystal structure; cis conformation , fluorination , 1-oxotetrahydroisoquinolinon-4-carboxylic acid , hydrogen bonding
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
