Information card for entry 2204472

Structure parameters

• Chemical name: 2-Nitrobenzaldehyde 4-nitrophenylhydrazone
• Formula: C13 H10 N4 O4
• Calculated formula: C13 H10 N4 O4
• SMILES: O=N(=O)c1ccc(N\N=C\c2c(N(=O)=O)cccc2)cc1
• Title of publication: 2-Nitrobenzaldehyde 4-nitrophenylhydrazone
• Authors of publication: Shang Shan; Xiao-Juan Wang; Wei-Xiao Hu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o1954 - o1956
• a: 7.257 ± 0.0007 Å
• b: 12.0869 ± 0.0011 Å
• c: 14.4455 ± 0.0011 Å
• α: 90°
• β: 93.465 ± 0.002°
• γ: 90°
• Cell volume: 1264.77 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes