Information card for entry 2234000

Structure parameters

• Chemical name: 2-Hydroxy-<i>N</i>'-(5-hydroxy-2-nitrobenzylidene)-3-methylbenzohydrazide
• Formula: C15 H13 N3 O5
• Calculated formula: C15 H13 N3 O5
• SMILES: N(=O)(=O)c1c(cc(O)cc1)/C=N/NC(=O)c1c(O)c(ccc1)C
• Title of publication: 2-Hydroxy-<i>N</i>'-(5-hydroxy-2-nitrobenzylidene)-3-methylbenzohydrazide
• Authors of publication: Zhu, Zhao-Fu; Shao, Li-Juen; Shen, Xi-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o559
• a: 7.643 ± 0.002 Å
• b: 9.055 ± 0.003 Å
• c: 10.876 ± 0.003 Å
• α: 84.865 ± 0.002°
• β: 72.732 ± 0.002°
• γ: 77.479 ± 0.002°
• Cell volume: 701.4 ± 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: 0.0927
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes