Information card for entry 2222634

Structure parameters

• Chemical name: <i>N</i>'-(3,4-Dihydroxybenzylidene)acetohydrazide monohydrate
• Formula: C9 H12 N2 O4
• Calculated formula: C9 H12 N2 O4
• SMILES: Oc1c(O)cc(/C=N/NC(=O)C)cc1.O
• Title of publication: <i>N</i>'-(3,4-Dihydroxybenzylidene)acetohydrazide monohydrate
• Authors of publication: Lv, Lu-Ping; Yu, Tie-Ming; Yu, Wen-Bo; Li, Wei-Wei; Hu, Xian-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1897
• a: 9.325 ± 0.004 Å
• b: 13.877 ± 0.007 Å
• c: 8.21 ± 0.004 Å
• α: 90°
• β: 106.435 ± 0.005°
• γ: 90°
• Cell volume: 1019 ± 0.8 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: 0.0364
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes