Information card for entry 2013150

Structure parameters

• Formula: C13 H10 N4 O4
• Calculated formula: C13 H10 N4 O4
• SMILES: O=N(=O)c1cc(N(=O)=O)c(N\N=C\c2ccccc2)cc1
• Title of publication: Benzaldehyde 2,4-dinitrophenylhydrazone
• Authors of publication: Shang Shan; Duan-Jun Xu; Chen-Hsiung Hung; Jing-Yun Wu; Michael Y. Chiang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o135 - o136
• a: 13.29 ± 0.003 Å
• b: 6.825 ± 0.003 Å
• c: 14.3316 ± 0.0018 Å
• α: 90°
• β: 92.596 ± 0.015°
• γ: 90°
• Cell volume: 1298.6 ± 0.7 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: 0.112
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes