Information card for entry 2239831

Structure parameters

• Chemical name: <i>N</i>^1^-Phenyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine
• Formula: C22 H17 N3
• Calculated formula: C22 H17 N3
• SMILES: c12ccccc1ccc(/C=N/c1ccc(cc1)Nc1ccccc1)n2
• Title of publication: Crystal structure of <i>N</i>^1^-phenyl-<i>N</i>^4^-[(quinolin-2-yl)methylidene]benzene-1,4-diamine
• Authors of publication: Faizi, Md. Serajul Haque; Mashrai, Ashraf; Garandal, Saleem; Shahid, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o905 - o906
• a: 17.595 ± 0.002 Å
• b: 7.3348 ± 0.0008 Å
• c: 12.5712 ± 0.0018 Å
• α: 90°
• β: 99.769 ± 0.006°
• γ: 90°
• Cell volume: 1598.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1381
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes