Information card for entry 2234123

Structure parameters

• Chemical name: 4-[2-(Benzylamino)phenyl]-2,6-dimethylquinoline <i>N</i>-oxide
• Formula: C24 H22 N2 O
• Calculated formula: C24 H22 N2 O
• SMILES: c1(ccccc1c1c2cc(ccc2n(c(c1)C)=O)C)NCc1ccccc1
• Title of publication: 4-[2-(Benzylamino)phenyl]-2,6-dimethylquinoline <i>N</i>-oxide
• Authors of publication: Geffe, Mario; Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1106
• a: 10.1656 ± 0.0003 Å
• b: 14.1135 ± 0.0005 Å
• c: 12.9372 ± 0.0004 Å
• α: 90°
• β: 91.547 ± 0.003°
• γ: 90°
• Cell volume: 1855.45 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes