Information card for entry 2225312

Structure parameters

• Chemical name: 1,3-Diphenylpropan-2-one (2,4-dinitrophenyl)hydrazone
• Formula: C21 H18 N4 O4
• Calculated formula: C21 H18 N4 O4
• SMILES: O=N(=O)c1c(NN=C(Cc2ccccc2)Cc2ccccc2)ccc(N(=O)=O)c1
• Title of publication: 1,3-Diphenylpropan-2-one (2,4-dinitrophenyl)hydrazone
• Authors of publication: Gomes, Ligia R.; Lima, Carlos F. R. A. C.; Santos, Luís M. N. B. F.; Brandão, Paula; Low, John Nicolson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o565
• a: 17.2448 ± 0.0009 Å
• b: 5.1013 ± 0.0002 Å
• c: 22.7459 ± 0.0013 Å
• α: 90°
• β: 109.475 ± 0.002°
• γ: 90°
• Cell volume: 1886.5 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes