Information card for entry 2239426

Structure parameters

• Chemical name: 2-{(<i>E</i>)-[4-(Diphenylamino)phenyl]iminomethyl}phenol
• Formula: C25 H20 N2 O
• Calculated formula: C25 H20 N2 O
• SMILES: Oc1ccccc1/C=N/c1ccc(cc1)N(c1ccccc1)c1ccccc1
• Title of publication: 2-{(<i>E</i>)-[4-(Diphenylamino)phenyl]iminomethyl}phenol
• Authors of publication: Chen, Jiang; Jin, Zhe-Peng; Gao, Bing-Fei; Yu, Jian-Hua; Wu, Jie-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o314
• a: 18.4128 ± 0.0004 Å
• b: 21.2523 ± 0.0004 Å
• c: 10.208 ± 0.0002 Å
• α: 90°
• β: 99.834 ± 0.001°
• γ: 90°
• Cell volume: 3935.84 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes