Information card for entry 2202220

Structure parameters

• Formula: C10 H12 N4 O4
• Calculated formula: C10 H12 N4 O4
• SMILES: O=N(=O)c1c(N\N=C\C(C)C)ccc(N(=O)=O)c1
• Title of publication: Isobutyraldehyde 2,4-dinitrophenylhydrazone
• Authors of publication: Shang Shan; Duan-Jun Xu; Wei-Xiao Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o838 - o840
• a: 7.0514 ± 0.001 Å
• b: 7.3862 ± 0.0012 Å
• c: 23.6459 ± 0.0016 Å
• α: 90°
• β: 92.372 ± 0.013°
• γ: 90°
• Cell volume: 1230.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes