Information card for entry 2235262

Structure parameters

• Chemical name: (<i>E</i>)-4-Amino-<i>N</i>'-(2-nitrobenzylidene)benzohydrazide
• Formula: C14 H12 N4 O3
• Calculated formula: C14 H12 N4 O3
• SMILES: O=C(N/N=C/c1c(N(=O)=O)cccc1)c1ccc(N)cc1
• Title of publication: (<i>E</i>)-4-Amino-<i>N</i>'-(2-nitrobenzylidene)benzohydrazide
• Authors of publication: Shi, Zhong-Feng; Li, Jia-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1726
• a: 6.4594 ± 0.0013 Å
• b: 4.5998 ± 0.0013 Å
• c: 20.598 ± 0.005 Å
• α: 90°
• β: 95.08 ± 0.04°
• γ: 90°
• Cell volume: 609.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes