Information card for entry 2232306

Structure parameters

• Chemical name: 4-(4-Methylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)- 7-(trifluoromethyl)quinoline
• Formula: C23 H20 F3 N5 O
• Calculated formula: C23 H20 F3 N5 O
• SMILES: FC(F)(F)c1ccc2c(N3CCN(CC3)C)c(cnc2c1)c1oc(nn1)c1ccccc1
• Title of publication: 4-(4-Methylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-(trifluoromethyl)quinoline
• Authors of publication: Fun, Hoong-Kun; Arshad, Suhana; Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3117 - o3118
• a: 8.5065 ± 0.0015 Å
• b: 10.2176 ± 0.0017 Å
• c: 13.709 ± 0.003 Å
• α: 103.84 ± 0.005°
• β: 98.515 ± 0.005°
• γ: 109.034 ± 0.004°
• Cell volume: 1060 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0969
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes