Information card for entry 2230718

Structure parameters

• Chemical name: 2-[2-(4-Nitrophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione
• Formula: C21 H15 N3 O4
• Calculated formula: C21 H15 N3 O4
• SMILES: O=C(C(=NNc1ccc(N(=O)=O)cc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: 2-[2-(4-Nitrophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione
• Authors of publication: Bustos, Carlos; Alvarez-Thon, Luis; Barría, Daniela; Garland, Maria Teresa; Sánchez, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1587
• a: 8.2994 ± 0.0007 Å
• b: 8.625 ± 0.0007 Å
• c: 25.018 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1790.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0394
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes