Information card for entry 2219835

Structure parameters

• Chemical name: But-2-enal 2,4-dinitrophenylhydrazone
• Formula: C10 H10 N4 O4
• Calculated formula: C10 H10 N4 O4
• SMILES: N(=C\C=C\C)/Nc1c(N(=O)=O)cc(N(=O)=O)cc1
• Title of publication: But-2-enal 2,4-dinitrophenylhydrazone
• Authors of publication: Yin, Zhi-Gang; Qian, Heng-Yu; Chen, Yu-Zhen; Hu, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2149
• a: 4.6699 ± 0.0008 Å
• b: 13.188 ± 0.002 Å
• c: 18.88 ± 0.003 Å
• α: 90°
• β: 92.565 ± 0.003°
• γ: 90°
• Cell volume: 1161.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes