Information card for entry 2233479

Structure parameters

• Chemical name: Ethyl 2-[(2,4-difluorophenyl)hydrazinylidene]-3-oxobutanoate
• Formula: C12 H12 F2 N2 O3
• Calculated formula: C12 H12 F2 N2 O3
• SMILES: Fc1cc(F)ccc1N/N=C(/C(=O)OCC)C(=O)C
• Title of publication: Ethyl 2-[(2,4-difluorophenyl)hydrazinylidene]-3-oxobutanoate
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Shetty, Shobhitha; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o422
• a: 21.814 ± 0.004 Å
• b: 9.0079 ± 0.0015 Å
• c: 13.188 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2591.4 ± 0.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1416
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes