Information card for entry 2223920

Structure parameters

• Chemical name: 3-Anilino-1,3-di-2-pyridylpropan-1-one
• Formula: C19 H17 N3 O
• Calculated formula: C19 H17 N3 O
• SMILES: O=C(c1ncccc1)C[C@@H](Nc1ccccc1)c1ncccc1
• Title of publication: 3-Anilino-1,3-di-2-pyridylpropan-1-one
• Authors of publication: Liu, Hai-Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2739
• a: 9.316 ± 0.002 Å
• b: 10.275 ± 0.002 Å
• c: 16.652 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1594 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1202
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes