Information card for entry 2202599

Structure parameters

• Formula: C20 H15 N3 O3
• Calculated formula: C20 H15 N3 O3
• SMILES: O=N(=O)c1ccc(N\N=C(/C(=O)c2ccccc2)c2ccccc2)cc1
• Title of publication: Benzil 4-nitrophenylhydrazone
• Authors of publication: Shang Shan; Hai-Gang Yu; Wei-Xiao Hu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1886 - o1887
• a: 29.2648 ± 0.0015 Å
• b: 7.1628 ± 0.001 Å
• c: 16.4396 ± 0.0013 Å
• α: 90°
• β: 98.601 ± 0.01°
• γ: 90°
• Cell volume: 3407.3 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes