Information card for entry 2225253

Structure parameters

• Chemical name: <i>N</i>'-(4-Chlorobenzylidene)furan-2-carbohydrazide monohydrate
• Formula: C12 H11 Cl N2 O3
• Calculated formula: C12 H11 Cl N2 O3
• SMILES: Clc1ccc(cc1)C=NNC(=O)c1occc1.O
• Title of publication: <i>N</i>'-(4-Chlorobenzylidene)furan-2-carbohydrazide monohydrate
• Authors of publication: Jiang, Jin-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o627
• a: 4.548 ± 0.0009 Å
• b: 12.423 ± 0.003 Å
• c: 10.971 ± 0.002 Å
• α: 90°
• β: 91.9 ± 0.03°
• γ: 90°
• Cell volume: 619.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.145
• 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