Information card for entry 2235026

Structure parameters

• Chemical name: (<i>E</i>)-4-Methyl-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide
• Formula: C15 H13 N3 O3
• Calculated formula: C15 H13 N3 O3
• SMILES: N(=O)(=O)c1cc(ccc1)/C=N/NC(=O)c1ccc(cc1)C
• Title of publication: (<i>E</i>)-4-Methyl-<i>N</i>'-(3-nitrobenzylidene)benzohydrazide
• Authors of publication: Hu, Hua-Nan; Liu, Shi-Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1613
• a: 32.657 ± 0.003 Å
• b: 4.7861 ± 0.0015 Å
• c: 8.7596 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1369.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes