Information card for entry 2203020

Structure parameters

• Formula: C12 H14 N4 O4
• Calculated formula: C12 H14 N4 O4
• SMILES: O=N(=O)c1c(N/N=C2/CCCCC2)ccc(N(=O)=O)c1
• Title of publication: Cyclohexanone 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: 8
• Pages of publication: o1173 - o1174
• a: 6.97 ± 0.0011 Å
• b: 8.0438 ± 0.001 Å
• c: 11.8063 ± 0.0013 Å
• α: 87.91 ± 0.002°
• β: 79.862 ± 0.004°
• γ: 81.879 ± 0.003°
• Cell volume: 645.01 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.076
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes