Information card for entry 2231116

Structure parameters

• Chemical name: (<i>E</i>)-Ethyl <i>N</i>'-(3-hydroxybenzylidene)hydrazinecarboxylate dihydrate
• Formula: C10 H16 N2 O5
• Calculated formula: C10 H16 N2 O5
• SMILES: O.O.c1c(cccc1/C=N/NC(=O)OCC)O
• Title of publication: (<i>E</i>)-Ethyl <i>N</i>'-(3-hydroxybenzylidene)hydrazinecarboxylate dihydrate
• Authors of publication: Hu, Xian-Chao; Zhang, Jie; Yang, Da-Yong; Lv, Lu-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1884
• a: 12.8074 ± 0.001 Å
• b: 21.9101 ± 0.0018 Å
• c: 8.9048 ± 0.0007 Å
• α: 90°
• β: 96.49 ± 0.003°
• γ: 90°
• Cell volume: 2482.8 ± 0.3 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: 0.0681
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes