(3*,4*)-4-氟-3-(4-甲氧基-苯基)-1-氧代-2-苯基-1,2,3,4-四氢异喹啉-4-羧酸的晶体结构
Crystal structure of (3*,4*)-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.
作者信息
Lehmann Anna, Lechner Lisa, Radacki Krzysztof, Braunschweig Holger, Holzgrabe Ulrike
机构信息
Institute of Pharmacy and Food Chemistry, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany.
Institute of Inorganic Chemistry, University of Wuerzburg, Am Hubland, 97074 Wuerzburg, Germany.
出版信息
Acta Crystallogr E Crystallogr Commun. 2017 May 23;73(Pt 6):867-870. doi: 10.1107/S2056989017007186. eCollection 2017 Jun 1.
The title compound, CHFNO, crystallized as a racemate. It exhibits a 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 -axis direction. The chains are linked by C-H⋯F hydrogen bonds, forming layers lying parallel to the plane.
标题化合物CHFNO以外消旋体形式结晶。它相对于氟原子和次甲基氢原子呈现出一种构象。哌啶环具有扭船式构象。甲氧基苯基环和苯基环分别相对于异喹啉环系统的平均平面倾斜89.85 (4)°和46.62 (5)°，且相互间倾斜78.15 (5)°。在晶体中，分子通过O—H⋯O氢键相连形成沿a轴方向延伸的链。这些链通过C—H⋯F氢键相连，形成平行于bc平面的层。
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