Information card for entry 2234005

Structure parameters

• Chemical name: (<i>E</i>)-3-Methyl-<i>N</i>'-(4-nitrobenzylidene)benzohydrazide methanol monosolvate
• Formula: C16 H17 N3 O4
• Calculated formula: C16 H17 N3 O4
• SMILES: N(=O)(=O)c1ccc(cc1)/C=N/NC(=O)c1cc(ccc1)C.OC
• Title of publication: (<i>E</i>)-3-Methyl-<i>N</i>'-(4-nitrobenzylidene)benzohydrazide methanol monosolvate
• Authors of publication: Tang, Chun-Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o602
• a: 6.581 ± 0.002 Å
• b: 10.778 ± 0.003 Å
• c: 11.778 ± 0.003 Å
• α: 77.945 ± 0.002°
• β: 87.524 ± 0.002°
• γ: 76.146 ± 0.002°
• Cell volume: 793.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes