Information card for entry 2201365

Structure parameters

• Chemical name: 2-(2-Methoxyphenylhydrazono)-3-oxo-butanoic acid
• Formula: C11 H12 N2 O4
• Calculated formula: C11 H12 N2 O4
• SMILES: O(c1c(N/N=C(C(=O)O)/C(=O)C)cccc1)C
• Title of publication: 2-(2-Methoxyphenylhydrazono)-3-oxobutanoic 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: 8
• Pages of publication: o805 - o806
• a: 8.105 ± 0.003 Å
• b: 11.065 ± 0.002 Å
• c: 14.163 ± 0.004 Å
• α: 111.17 ± 0.03°
• β: 95.85 ± 0.04°
• γ: 102.97 ± 0.03°
• Cell volume: 1130.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes