Information card for entry 2231274

Structure parameters

• Chemical name: 2-Cyano-<i>N</i>'-(5-hydroxy-2-nitrobenzylidene)acetohydrazide monohydrate
• Formula: C10 H10 N4 O5
• Calculated formula: C10 H10 N4 O5
• SMILES: N(=O)(=O)c1c(cc(O)cc1)C=NNC(=O)CC#N.O
• Title of publication: 2-Cyano-<i>N</i>'-(5-hydroxy-2-nitrobenzylidene)acetohydrazide monohydrate
• Authors of publication: Li, Hongbo; Ni, Xiaocheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2002
• a: 4.663 ± 0.001 Å
• b: 13.238 ± 0.002 Å
• c: 19.305 ± 0.002 Å
• α: 90°
• β: 90.312 ± 0.003°
• γ: 90°
• Cell volume: 1191.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes