Information card for entry 2201387

Structure parameters

• Common name: 3-Oxo-2-(phenylhydrazono)butanoic acid
• Chemical name: 3-Oxo-2-(phenylhydrazono)butanoic acid
• Formula: C10 H10 N2 O3
• Calculated formula: C10 H10 N2 O3
• SMILES: OC(=O)C(=N/Nc1ccccc1)\C(=O)C
• Title of publication: 3-Oxo-2-(phenylhydrazono)butanoic acid
• Authors of publication: Rani, Asha; Saha, Ajay Prakash; Prasad, Satya Murti
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o1001 - o1002
• a: 6.9138 ± 0.001 Å
• b: 21.309 ± 0.002 Å
• c: 7.0783 ± 0.001 Å
• α: 90°
• β: 108.917 ± 0.01°
• γ: 90°
• Cell volume: 986.5 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes