Information card for entry 2209520

Structure parameters

• Chemical name: 5-Nitrosalicylaldehyde (2-hydroxybenzoyl)hydrazone
• Formula: C14 H11 N3 O5
• Calculated formula: C14 H11 N3 O5
• SMILES: c1(c(cc(cc1)N(=O)=O)/C=N/NC(=O)c1c(cccc1)O)O
• Title of publication: 5-Nitrosalicylaldehyde (2-hydroxybenzoyl)hydrazone
• Authors of publication: Xu, Hong-Mei; Liu, Shi-Xiong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3026 - o3027
• a: 7.645 ± 0.003 Å
• b: 6.751 ± 0.003 Å
• c: 24.994 ± 0.011 Å
• α: 90°
• β: 92.473 ± 0.009°
• γ: 90°
• Cell volume: 1288.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No