Information card for entry 2312064

Structure parameters

• Common name: 5-[1-Benzyl-6-fluoro-7-(piperidin-1-yl)-quinolin-4(1<i>H</i>)-on-3-yl]-3-(4-methylcyclohex-1-yl)-1,2,4-oxadiazole
• Chemical name: 7-(piperidin-1-yl)quinolin-4-one
• Formula: C33 H41 F N4 O3
• Calculated formula: C33 H41 F N4 O3
• Title of publication: Synthesis, analysis of mol-ecular and crystal structures, estimation of inter-molecular inter-actions and biological properties of 1-benzyl-6-fluoro-3-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-7-(piperidin-1-yl)quinolin-4-one.
• Authors of publication: Vaksler, Yevhenii; Hryhoriv, Halyna V.; Ivanov, Vladimir V.; Kovalenko, Sergiy M.; Georgiyants, Victoriya A.; Langer, Thierry
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 3
• Pages of publication: 192 - 200
• a: 9.9499 ± 0.0006 Å
• b: 11.2976 ± 0.0009 Å
• c: 14.9913 ± 0.0012 Å
• α: 68.65 ± 0.008°
• β: 89.473 ± 0.006°
• γ: 78.976 ± 0.006°
• Cell volume: 1537.2 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes