Information card for entry 2238457

Structure parameters

• Chemical name: <i>N</i>'-{(<i>E</i>)-[5-(Hydroxymethyl)furan-2-yl]methylidene}pyridine-4-carbohydrazide dihydrate
• Formula: C12 H15 N3 O5
• Calculated formula: C12 H15 N3 O5
• SMILES: OCc1ccc(o1)/C=N/NC(=O)c1ccncc1.O.O
• Title of publication: <i>N</i>'-{(<i>E</i>)-[5-(Hydroxymethyl)furan-2-yl]methylidene}pyridine-4-carbohydrazide dihydrate
• Authors of publication: Prasanna, M. K.; Sithambaresan, M.; Pradeepkumar, K.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1342 - o1343
• a: 10.702 ± 0.0014 Å
• b: 7.0263 ± 0.0008 Å
• c: 18.024 ± 0.003 Å
• α: 90°
• β: 106.252 ± 0.007°
• γ: 90°
• Cell volume: 1301.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes