Information card for entry 2239644

Structure parameters

• Common name: 4-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid
• Chemical name: 4-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid
• Formula: C13 H13 N O4
• Calculated formula: C13 H13 N O4
• SMILES: O=C(CC(=C)C(=O)O)Nc1ccc(cc1)C(=O)C
• Title of publication: 4-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid
• Authors of publication: Narayana, B.; Nayak, Prakash S.; Sarojini, Balladka K.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o752 - o753
• a: 5.0164 ± 0.0005 Å
• b: 5.2908 ± 0.0004 Å
• c: 21.8464 ± 0.0018 Å
• α: 92.833 ± 0.006°
• β: 90.315 ± 0.007°
• γ: 96.222 ± 0.007°
• Cell volume: 575.67 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes