Information card for entry 2234595

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-4-Benzyloxy-2-hydroxybenzylidene]-4-nitrobenzohydrazide monohydrate
• Formula: C21 H19 N3 O6
• Calculated formula: C21 H19 N3 O6
• SMILES: O=N(=O)c1ccc(C(=O)N/N=C/c2c(O)cc(OCc3ccccc3)cc2)cc1.O
• Title of publication: <i>N</i>'-[(<i>E</i>)-4-Benzyloxy-2-hydroxybenzylidene]-4-nitrobenzohydrazide monohydrate
• Authors of publication: Joseph, Bibitha; Sithambaresan, M.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1421 - o1422
• a: 4.6275 ± 0.0007 Å
• b: 6.5332 ± 0.0011 Å
• c: 31.856 ± 0.005 Å
• α: 90°
• β: 92.417 ± 0.004°
• γ: 90°
• Cell volume: 962.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0875
• 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