Information card for entry 2201427

Structure parameters

• Common name: 3-Oxo-2-(p-bromophenylhydrazono)-butanoic acid
• Chemical name: 2-(p-Bromophenylhydrazono)-3-oxobutanoic acid
• Formula: C10 H9 Br N2 O3
• Calculated formula: C10 H9 Br N2 O3
• SMILES: Brc1ccc(N\N=C(/C(=O)O)C(=O)C)cc1
• Title of publication: 2-(<i>p</i>-Bromophenylhydrazono)-3-oxobutanoic acid
• Authors of publication: Prasad, Satya Murti; Gupta, Satish Chandra; Rani, Asha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1446 - o1448
• a: 7.058 ± 0.004 Å
• b: 7.126 ± 0.003 Å
• c: 11.311 ± 0.006 Å
• α: 77.05 ± 0.03°
• β: 86.35 ± 0.04°
• γ: 78.47 ± 0.05°
• Cell volume: 543.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0862
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No