Information card for entry 2231087

Structure parameters

• Chemical name: 2-[2-(4-Acetylphenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione
• Formula: C23 H18 N2 O3
• Calculated formula: C23 H18 N2 O3
• SMILES: O=C(C(=N\Nc1ccc(cc1)C(=O)C)\C(=O)c1ccccc1)c1ccccc1
• Title of publication: 2-[2-(4-Acetylphenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione
• Authors of publication: Bustos, Carlos; Barría, Daniela; Alvarez-Thon, Luis; Cárcamo, Juan-Guillermo; Garland, Maria Teresa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2048 - o2049
• a: 12.6026 ± 0.0015 Å
• b: 11.0138 ± 0.0013 Å
• c: 14.9701 ± 0.0018 Å
• α: 90°
• β: 114.447 ± 0.002°
• γ: 90°
• Cell volume: 1891.6 ± 0.4 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.0608
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes