Information card for entry 2003579

Structure parameters

• Chemical name: 4-Nitrobenzaldehydephenylhydrazone
• Formula: C13 H11 N3 O2
• Calculated formula: C13 H11 N3 O2
• SMILES: c1ccccc1N/N=C/c1ccc(cc1)N(=O)=O
• Title of publication: (<i>E</i>)-4-Nitrobenzaldehyde Phenylhydrazone
• Authors of publication: Velavan, R.; Sivakumar, K.; Anbu, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1227 - 1229
• a: 6.059 ± 0.001 Å
• b: 11.598 ± 0.002 Å
• c: 17.253 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1212.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.1074
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No