Information card for entry 2231892

Structure parameters

• Chemical name: (<i>E</i>)-methyl <i>N</i>'-(3-hydroxybenzylidene)hydrazinecarboxylate dihydrate
• Formula: C9 H14 N2 O5
• Calculated formula: C9 H14 N2 O5
• SMILES: c1c(cccc1/C=N/NC(=O)OC)O.O.O
• Title of publication: (<i>E</i>)-Methyl <i>N</i>'-(3-hydroxybenzylidene)hydrazinecarboxylate dihydrate
• Authors of publication: Li, Wei-Wei; Yu, Tie-Ming; Lv, Lu-Ping; Hu, Xian-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2584
• a: 11.7316 ± 0.0016 Å
• b: 20.785 ± 0.003 Å
• c: 9.5259 ± 0.0016 Å
• α: 90°
• β: 99.675 ± 0.003°
• γ: 90°
• Cell volume: 2289.8 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes