Information card for entry 2202651

Structure parameters

• Common name: acetylacetone dioxime
• Chemical name: pentane-2,4-dione dioxime
• Formula: C5 H10 N2 O2
• Calculated formula: C5 H10 N2 O2
• SMILES: C(=N\O)(\C)/C/C(=N/O)/C
• Title of publication: Acetylacetone dioxime
• Authors of publication: Marilyn M. Olmstead; Javad J. Sahbari
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1648 - o1649
• a: 10.852 ± 0.002 Å
• b: 10.852 ± 0.002 Å
• c: 5.9751 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 703.7 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes