Information card for entry 2233467

Structure parameters

• Chemical name: <i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-iodobenzylidene]furan-2-carbohydrazide monohydrate
• Formula: C12 H11 I N2 O4
• Calculated formula: C12 H11 I N2 O4
• SMILES: Ic1ccc(c(c1)/C=N/NC(=O)c1ccco1)O.O
• Title of publication: <i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-iodobenzylidene]furan-2-carbohydrazide monohydrate
• Authors of publication: Bikas, Rahman; Anarjan, Parisa Mahboubi; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o413 - o414
• a: 4.8607 ± 0.0002 Å
• b: 12.5873 ± 0.0004 Å
• c: 21.1627 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1294.8 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes