Information card for entry 2223773

Structure parameters

• Chemical name: (<i>E</i>)-1-Phenylbutan-2-one (2,4-dinitrophenyl)hydrazone
• Formula: C16 H16 N4 O4
• Calculated formula: C16 H16 N4 O4
• SMILES: O=N(=O)c1c(N/N=C(Cc2ccccc2)\CC)ccc(N(=O)=O)c1
• Title of publication: (<i>E</i>)-1-Phenylbutan-2-one (2,4-dinitrophenyl)hydrazone
• Authors of publication: Lima, Carlos F. R. A. C.; Gomes, Ligia R.; Santos, Luís M. N. B. F.; Rodriguez-Borges, José E.; Low, John Nicolson
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2729
• a: 15.8919 ± 0.0013 Å
• b: 4.9446 ± 0.0003 Å
• c: 20.7397 ± 0.0017 Å
• α: 90°
• β: 105.267 ± 0.005°
• γ: 90°
• Cell volume: 1572.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.076
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes