Information card for entry 2239666

Structure parameters

• Chemical name: 4-[(4-Bromophenyl)amino]-2-methylidene-4-oxobutanoic acid
• Formula: C11 H10 Br N O3
• Calculated formula: C11 H10 Br N O3
• SMILES: Brc1ccc(NC(=O)CC(=C)C(=O)O)cc1
• Title of publication: 4-[(4-Bromophenyl)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: o779 - o780
• a: 6.2782 ± 0.0004 Å
• b: 8.3251 ± 0.0005 Å
• c: 21.3244 ± 0.0012 Å
• α: 96.462 ± 0.005°
• β: 92.026 ± 0.005°
• γ: 95.39 ± 0.005°
• Cell volume: 1101.39 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes