Information card for entry 2229244

Structure parameters

• Chemical name: 2-Hydroxy-<i>N</i>'-(4-hydroxy-3-nitrobenzylidene)benzohydrazide
• Formula: C14 H11 N3 O5
• Calculated formula: C14 H11 N3 O5
• SMILES: Oc1c(cccc1)C(=O)N/N=C/c1cc(N(=O)=O)c(O)cc1
• Title of publication: 2-Hydroxy-<i>N</i>'-(4-hydroxy-3-nitrobenzylidene)benzohydrazide
• Authors of publication: Zhang, Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o301
• a: 13.769 ± 0.002 Å
• b: 13.089 ± 0.002 Å
• c: 19.999 ± 0.003 Å
• α: 90°
• β: 131.426 ± 0.003°
• γ: 90°
• Cell volume: 2702.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes