Information card for entry 8103279

Structure parameters

• Chemical name: N'-(5-chloro-2-hydroxybenzylidene)furan-2-carbohydrazide water
• Formula: C12 H11 Cl N2 O4
• Calculated formula: C12 H11 Cl N2 O4
• SMILES: Clc1ccc(O)c(c1)C=NNC(=O)c1occc1.O
• Title of publication: Crystal structure of N'-(5-chloro-2-hydroxybenzylidene)furan-2-carbohydrazide monohydrate, C12H9ClN2O3 · H2O
• Authors of publication: Hua-Dong Dong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 1
• Pages of publication: 89
• a: 4.8534 ± 0.0003 Å
• b: 12.4461 ± 0.001 Å
• c: 20.7341 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1252.46 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1246
• 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: No