Information card for entry 2229117

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(2,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide
• Formula: C14 H11 N3 O5
• Calculated formula: C14 H11 N3 O5
• SMILES: Oc1cc(O)ccc1/C=N/NC(=O)c1ccc(N(=O)=O)cc1
• Title of publication: (<i>E</i>)-<i>N</i>'-(2,4-Dihydroxybenzylidene)-4-nitrobenzohydrazide
• Authors of publication: Mohd Lair, Nooraziah; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o459
• a: 8.0248 ± 0.0001 Å
• b: 12.5674 ± 0.0002 Å
• c: 12.877 ± 0.0002 Å
• α: 90°
• β: 96.732 ± 0.001°
• γ: 90°
• Cell volume: 1289.7 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes