Information card for entry 2226483

Structure parameters

• Chemical name: <i>N</i>'-(4-Cyanobenzylidene)furan-2-carbohydrazide monohydrate
• Formula: C13 H11 N3 O3
• Calculated formula: C13 H11 N3 O3
• SMILES: N(=C\c1ccc(C#N)cc1)/NC(=O)c1occc1.O
• Title of publication: <i>N</i>'-(4-Cyanobenzylidene)furan-2-carbohydrazide monohydrate
• Authors of publication: Li, Yu-Feng; Jian, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1670
• a: 7.0501 ± 0.0014 Å
• b: 14.295 ± 0.003 Å
• c: 12.64 ± 0.003 Å
• α: 90°
• β: 103.38 ± 0.03°
• γ: 90°
• Cell volume: 1239.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes