Information card for entry 2231273

Structure parameters

• Chemical name: 2-Cyano-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)acetohydrazide
• Formula: C11 H11 N3 O3
• Calculated formula: C11 H11 N3 O3
• SMILES: N(=C\c1c(O)c(OC)ccc1)/NC(=O)CC#N
• Title of publication: 2-Cyano-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)acetohydrazide
• Authors of publication: Li, Hongbo; Chen, Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2001
• a: 4.8035 ± 0.0014 Å
• b: 9.47 ± 0.003 Å
• c: 23.884 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1086.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes