Information card for entry 2213435

Structure parameters

• Chemical name: (E)-N'-(5-bromo-2-hydroxybenzylidene)furan-2-carbohydrazide monohydrate
• Formula: C12 H11 Br N2 O4
• Calculated formula: C12 H11 Br N2 O4
• SMILES: Brc1ccc(O)c(c1)/C=N/NC(=O)c1occc1.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)furan-2-carbohydrazide monohydrate
• Authors of publication: Tai, Xi-Shi; Yin, Jie; Hao, Ming-Yang; Liang, Zu-Pei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2144 - o2145
• a: 4.888 ± 0.0008 Å
• b: 12.495 ± 0.002 Å
• c: 20.889 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1275.8 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes