Information card for entry 2229072

Structure parameters

• Common name: Ethyl-2-oxo-3-phenylhydrazono butyrate
• Chemical name: Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate
• Formula: C12 H14 N2 O3
• Calculated formula: C12 H14 N2 O3
• SMILES: CCOC(=O)/C(=N/Nc1ccccc1)C(=O)C
• Title of publication: Ethyl 3-oxo-2-(2-phenylhydrazinylidene)butanoate: a re-determination
• Authors of publication: Gupta, Satish Chandra; Mandal, Deo Kumar; Rani, Asha; Sahay, Anup; Prasad, Satya Murti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o460
• a: 8.4375 ± 0.0009 Å
• b: 17.551 ± 0.002 Å
• c: 8.242 ± 0.001 Å
• α: 90°
• β: 91.24 ± 0.01°
• γ: 90°
• Cell volume: 1220.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0598
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes